2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine

C19H28N6 — CID 72792975

IUPAC2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
SMILESCCCCNc1ncc(-c2ccccn2)c(NCC2CCNCC2)n1
InChIInChI=1S/C19H28N6/c1-2-3-9-22-19-24-14-16(17-6-4-5-10-21-17)18(25-19)23-13-15-7-11-20-12-8-15/h4-6,10,14-15,20H,2-3,7-9,11-13H2,1H3,(H2,22,23,24,25)
InChIKeyHVIDXJFXDHKCMO-UHFFFAOYSA-N
MW340.48 g/mol
LogP3.16
Rot. Bonds8

About 2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine

2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine (PubChem CID 72792975) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
PubChem CID72792975
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
SMILESCCCCNc1ncc(-c2ccccn2)c(NCC2CCNCC2)n1
InChIInChI=1S/C19H28N6/c1-2-3-9-22-19-24-14-16(17-6-4-5-10-21-17)18(25-19)23-13-15-7-11-20-12-8-15/h4-6,10,14-15,20H,2-3,7-9,11-13H2,1H3,(H2,22,23,24,25)
InChIKeyHVIDXJFXDHKCMO-UHFFFAOYSA-N
XLogP3.16
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[[5-[5-[(benzylamino)methyl]-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 123148798
2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 123945731
2-ethyl-N-(piperidin-4-ylmethyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 56768213
5-bromo-2-N-butyl-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
CID 166723883
2-(butylamino)-4-(cyclohexylamino)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide
CID 123248558
4-[[[5-bromo-2-(butylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 134163999
N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride
CID 162422883
3-[6-[2-(butylamino)-4-(cyclohexylamino)pyrimidin-5-yl]-3-pyridinyl]propan-1-ol
CID 144944295
4-[[2-(butylamino)-5-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439848
4-[[5-(5-amino-2-pyridinyl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439784
4-[[5-(2-aminopyrimidin-4-yl)-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439924
2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 123184269

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine (CID 72792975) is 2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine is CCCCNc1ncc(-c2ccccn2)c(NCC2CCNCC2)n1.
What is the InChIKey of 2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine?
The InChIKey is HVIDXJFXDHKCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-2-3-9-22-19-24-14-16(17-6-4-5-10-21-17)18(25-19)23-13-15-7-11-20-12-8-15/h4-6,10,14-15,20H,2-3,7-9,11-13H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine?
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine has a molecular weight of 340.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 72792975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).