6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine

C15H27N5 — CID 80848595

IUPAC6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)CC2CCCN2C)c1C
InChIInChI=1S/C15H27N5/c1-6-16-14-11(2)15(18-12(3)17-14)20(5)10-13-8-7-9-19(13)4/h13H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyHMEKGTCNFWYPKR-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.06
Rot. Bonds5

About 6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine

6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80848595) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80848595
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)CC2CCCN2C)c1C
InChIInChI=1S/C15H27N5/c1-6-16-14-11(2)15(18-12(3)17-14)20(5)10-13-8-7-9-19(13)4/h13H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyHMEKGTCNFWYPKR-UHFFFAOYSA-N
XLogP2.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80836014
6-N-ethyl-4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848832
6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 79314849
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80824999
4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80991832
6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846682
6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 106029063
4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80793711
6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80836320
6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026122
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 105420985
2-N-ethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848596

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine (CID 80848595) is 6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine is CCNc1nc(C)nc(N(C)CC2CCCN2C)c1C.
What is the InChIKey of 6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is HMEKGTCNFWYPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-6-16-14-11(2)15(18-12(3)17-14)20(5)10-13-8-7-9-19(13)4/h13H,6-10H2,1-5H3,(H,16,17,18).
What are the key properties of 6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80848595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).