4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine

C14H19N5O — CID 80831148

IUPAC4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCc1ccc(OC)nc1
InChIInChI=1S/C14H19N5O/c1-3-4-11-13(15)18-9-19-14(11)17-8-10-5-6-12(20-2)16-7-10/h5-7,9H,3-4,8H2,1-2H3,(H3,15,17,18,19)
InChIKeyLHWCEBAVNJQQPZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.03
Rot. Bonds6

About 4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine

4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine (PubChem CID 80831148) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
PubChem CID80831148
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCc1ccc(OC)nc1
InChIInChI=1S/C14H19N5O/c1-3-4-11-13(15)18-9-19-14(11)17-8-10-5-6-12(20-2)16-7-10/h5-7,9H,3-4,8H2,1-2H3,(H3,15,17,18,19)
InChIKeyLHWCEBAVNJQQPZ-UHFFFAOYSA-N
XLogP2.03
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831799
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80971470
4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 114993686
4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
CID 102701914
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 55140338
4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80784843

Frequently Asked Questions

What is the IUPAC name of 4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine (CID 80831148) is 4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1NCc1ccc(OC)nc1.
What is the InChIKey of 4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine?
The InChIKey is LHWCEBAVNJQQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-4-11-13(15)18-9-19-14(11)17-8-10-5-6-12(20-2)16-7-10/h5-7,9H,3-4,8H2,1-2H3,(H3,15,17,18,19).
What are the key properties of 4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine?
4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80831148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).