2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C23H34N6O — CID 117084092

IUPAC2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCN2CCOCC2)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H34N6O/c1-19-17-22(24-9-12-28-13-15-30-16-14-28)27-23(25-19)26-21-7-10-29(11-8-21)18-20-5-3-2-4-6-20/h2-6,17,21H,7-16,18H2,1H3,(H2,24,25,26,27)
InChIKeyHULLKKZYUCTVIL-UHFFFAOYSA-N
MW410.57 g/mol
LogP2.61
Rot. Bonds8

About 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 117084092) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID117084092
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCN2CCOCC2)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H34N6O/c1-19-17-22(24-9-12-28-13-15-30-16-14-28)27-23(25-19)26-21-7-10-29(11-8-21)18-20-5-3-2-4-6-20/h2-6,17,21H,7-16,18H2,1H3,(H2,24,25,26,27)
InChIKeyHULLKKZYUCTVIL-UHFFFAOYSA-N
XLogP2.61
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913193
4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 117081921
6-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112913144
2-N-tert-butyl-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913170
2-N-(2-bromophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913247
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913270
2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913213
6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913122
2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 167774541

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 117084092) is 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is Cc1cc(NCCN2CCOCC2)nc(NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is HULLKKZYUCTVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-19-17-22(24-9-12-28-13-15-30-16-14-28)27-23(25-19)26-21-7-10-29(11-8-21)18-20-5-3-2-4-6-20/h2-6,17,21H,7-16,18H2,1H3,(H2,24,25,26,27).
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 410.57 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 117084092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).