2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine

C19H31N9 — CID 41176327

IUPAC2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cc(N2CCN([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)nc(C(C)C)n1
InChIInChI=1S/C19H31N9/c1-12(2)16-21-13(3)11-15(22-16)28-9-7-27(8-10-28)14(4)17-23-18(20)25-19(24-17)26(5)6/h11-12,14H,7-10H2,1-6H3,(H2,20,23,24,25)/t14-/m1/s1
InChIKeyPTJALYHAZWGWAF-CQSZACIVSA-N
MW385.52 g/mol
LogP1.62
Rot. Bonds5

About 2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 41176327) has the molecular formula C19H31N9 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID41176327
Molecular FormulaC19H31N9
Molecular Weight385.52 g/mol
Exact Mass385.27
IUPAC Name2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cc(N2CCN([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)nc(C(C)C)n1
InChIInChI=1S/C19H31N9/c1-12(2)16-21-13(3)11-15(22-16)28-9-7-27(8-10-28)14(4)17-23-18(20)25-19(24-17)26(5)6/h11-12,14H,7-10H2,1-6H3,(H2,20,23,24,25)/t14-/m1/s1
InChIKeyPTJALYHAZWGWAF-CQSZACIVSA-N
XLogP1.62
TPSA100.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 42957779
2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 18124256
6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34600416
2-N,2-N-dimethyl-6-[1-(4-methylpiperidin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 51281458
2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95579463
[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
CID 42926045
2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 34709904
N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631339
4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80832150
2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 34721248
cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 95318242
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 154838772

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine (CID 41176327) is 2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine is Cc1cc(N2CCN([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)nc(C(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PTJALYHAZWGWAF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H31N9/c1-12(2)16-21-13(3)11-15(22-16)28-9-7-27(8-10-28)14(4)17-23-18(20)25-19(24-17)26(5)6/h11-12,14H,7-10H2,1-6H3,(H2,20,23,24,25)/t14-/m1/s1.
What are the key properties of 2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 385.52 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 41176327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).