2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine

C16H24N6O — CID 162205101

IUPAC2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNCCCCc1cc(Nc2nccc(NC)n2)cnc1OC
InChIInChI=1S/C16H24N6O/c1-17-8-5-4-6-12-10-13(11-20-15(12)23-3)21-16-19-9-7-14(18-2)22-16/h7,9-11,17H,4-6,8H2,1-3H3,(H2,18,19,21,22)
InChIKeyZSBWEYGSCWFPRS-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.21
Rot. Bonds9

About 2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine

2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 162205101) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID162205101
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNCCCCc1cc(Nc2nccc(NC)n2)cnc1OC
InChIInChI=1S/C16H24N6O/c1-17-8-5-4-6-12-10-13(11-20-15(12)23-3)21-16-19-9-7-14(18-2)22-16/h7,9-11,17H,4-6,8H2,1-3H3,(H2,18,19,21,22)
InChIKeyZSBWEYGSCWFPRS-UHFFFAOYSA-N
XLogP2.21
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-N-[4-methoxy-3-[1-[2-(methylamino)ethylamino]ethyl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine;2-N-[4-methoxy-3-[[2-(methylamino)ethylamino]methyl]phenyl]-4-N-methylpyrimidine-2,4-diamine;2-N-[6-methoxy-5-[[2-(methylamino)ethylamino]methyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine;molecular hydrogen
CID 145385486
2-N-(5,6-dimethoxy-3-pyridinyl)-4-N-(7-fluoro-1,5-naphthyridin-3-yl)pyrimidine-2,4-diamine
CID 176696480
2-N-[3-[[2-(azetidin-1-yl)ethylamino]methyl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine;ethane;2-N-[4-methoxy-3-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 145385491
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107
2-N-(4-ethoxyphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894966
4-N-[2-(3-fluorophenyl)ethyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 69185641
4-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895526
4-N-(4-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895302
2-N-(3,4-dimethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886076
2-N-(4-bromophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894961
2-N-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine
CID 146339104
4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 175733738

Frequently Asked Questions

What is the IUPAC name of 2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine (CID 162205101) is 2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine is CNCCCCc1cc(Nc2nccc(NC)n2)cnc1OC.
What is the InChIKey of 2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is ZSBWEYGSCWFPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-17-8-5-4-6-12-10-13(11-20-15(12)23-3)21-16-19-9-7-14(18-2)22-16/h7,9-11,17H,4-6,8H2,1-3H3,(H2,18,19,21,22).
What are the key properties of 2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine?
2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 316.41 g/mol, XLogP of 2.21, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-methoxy-5-[4-(methylamino)butyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 162205101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).