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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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).