4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

C17H25N7 — CID 22542886

IUPAC4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
SMILESCN1CCC(N(C)c2ncnc(NCc3cccnc3)c2N)CC1
InChIInChI=1S/C17H25N7/c1-23-8-5-14(6-9-23)24(2)17-15(18)16(21-12-22-17)20-11-13-4-3-7-19-10-13/h3-4,7,10,12,14H,5-6,8-9,11,18H2,1-2H3,(H,20,21,22)
InChIKeyOIPCXPSBZRAELD-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.60
Rot. Bonds5

About 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine (PubChem CID 22542886) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
PubChem CID22542886
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
SMILESCN1CCC(N(C)c2ncnc(NCc3cccnc3)c2N)CC1
InChIInChI=1S/C17H25N7/c1-23-8-5-14(6-9-23)24(2)17-15(18)16(21-12-22-17)20-11-13-4-3-7-19-10-13/h3-4,7,10,12,14H,5-6,8-9,11,18H2,1-2H3,(H,20,21,22)
InChIKeyOIPCXPSBZRAELD-UHFFFAOYSA-N
XLogP1.60
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19150322
4-N,4-N-dimethyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542727
6-N-[(2-chlorophenyl)methyl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19154041
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19144124
6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542884
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
6-N-(4-iodophenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148960
6-N-(2-methoxyphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148204
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151861
5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80771465

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine (CID 22542886) is 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine is CN1CCC(N(C)c2ncnc(NCc3cccnc3)c2N)CC1.
What is the InChIKey of 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
The InChIKey is OIPCXPSBZRAELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-23-8-5-14(6-9-23)24(2)17-15(18)16(21-12-22-17)20-11-13-4-3-7-19-10-13/h3-4,7,10,12,14H,5-6,8-9,11,18H2,1-2H3,(H,20,21,22).
What are the key properties of 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine has a molecular weight of 327.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22542886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).