2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine

C24H38N6 — CID 117078917

IUPAC2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
SMILESCC(C)N(CCNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)C(C)C
InChIInChI=1S/C24H38N6/c1-19(2)30(20(3)4)17-14-25-23-10-13-26-24(28-23)27-22-11-15-29(16-12-22)18-21-8-6-5-7-9-21/h5-10,13,19-20,22H,11-12,14-18H2,1-4H3,(H2,25,26,27,28)
InChIKeySGAWLLQFOJDQQB-UHFFFAOYSA-N
MW410.61 g/mol
LogP4.08
Rot. Bonds10

About 2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine

2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine (PubChem CID 117078917) has the molecular formula C24H38N6 and a molecular weight of 410.61 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
PubChem CID117078917
Molecular FormulaC24H38N6
Molecular Weight410.61 g/mol
Exact Mass410.32
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
SMILESCC(C)N(CCNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)C(C)C
InChIInChI=1S/C24H38N6/c1-19(2)30(20(3)4)17-14-25-23-10-13-26-24(28-23)27-22-11-15-29(16-12-22)18-21-8-6-5-7-9-21/h5-10,13,19-20,22H,11-12,14-18H2,1-4H3,(H2,25,26,27,28)
InChIKeySGAWLLQFOJDQQB-UHFFFAOYSA-N
XLogP4.08
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-N-(1-benzylpiperidin-4-yl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 70694566
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112882404
ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112893944
4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112884937
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117084092
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine (CID 117078917) is 2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine is CC(C)N(CCNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)C(C)C.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine?
The InChIKey is SGAWLLQFOJDQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6/c1-19(2)30(20(3)4)17-14-25-23-10-13-26-24(28-23)27-22-11-15-29(16-12-22)18-21-8-6-5-7-9-21/h5-10,13,19-20,22H,11-12,14-18H2,1-4H3,(H2,25,26,27,28).
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine?
2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine has a molecular weight of 410.61 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 117078917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).