2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C21H30N6 — CID 133422665

IUPAC2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1
InChIInChI=1S/C21H30N6/c1-25(2)20-9-10-22-21(24-20)23-15-17-5-7-19(8-6-17)27-13-11-26(12-14-27)16-18-3-4-18/h5-10,18H,3-4,11-16H2,1-2H3,(H,22,23,24)
InChIKeySZJWRYWDXSBTMW-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.69
Rot. Bonds7

About 2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 133422665) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID133422665
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1
InChIInChI=1S/C21H30N6/c1-25(2)20-9-10-22-21(24-20)23-15-17-5-7-19(8-6-17)27-13-11-26(12-14-27)16-18-3-4-18/h5-10,18H,3-4,11-16H2,1-2H3,(H,22,23,24)
InChIKeySZJWRYWDXSBTMW-UHFFFAOYSA-N
XLogP2.69
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-5-methylpyrimidin-2-amine
CID 133422695
N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133422697
[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol
CID 61445571
6-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]pyrazine-2-carboxamide
CID 133422716
4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 84595614
1-[4-[[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]methyl]phenyl]pyrrolidin-2-one
CID 134714236
4-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methylamino]-3-fluorobenzonitrile
CID 133422704
4-N-[(4-chlorophenyl)methyl]-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112891976
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 133383415
2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133381871
4-N,4-N-dimethyl-2-N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172893174

Frequently Asked Questions

What is the IUPAC name of 2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 133422665) is 2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is CN(C)c1ccnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1.
What is the InChIKey of 2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is SZJWRYWDXSBTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-25(2)20-9-10-22-21(24-20)23-15-17-5-7-19(8-6-17)27-13-11-26(12-14-27)16-18-3-4-18/h5-10,18H,3-4,11-16H2,1-2H3,(H,22,23,24).
What are the key properties of 2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 366.51 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 133422665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).