4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine

C13H24N4O — CID 80950094

IUPAC4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(NC(CC)COC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-11-16-12(14-3)8-13(17-11)15-10(6-2)9-18-4/h8,10H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyCKPZFCQPWQVDDK-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.31
Rot. Bonds8

About 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine

4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80950094) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80950094
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(NC(CC)COC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-11-16-12(14-3)8-13(17-11)15-10(6-2)9-18-4/h8,10H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyCKPZFCQPWQVDDK-UHFFFAOYSA-N
XLogP2.31
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959645
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950100
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112
6-N-(1-methoxybutan-2-yl)-2-N-methylpyridine-2,6-diamine
CID 80836609
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 80947147
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80955285
3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol
CID 83180465
6-(2-ethylbutoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 114208764
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942440

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine (CID 80950094) is 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(NC(CC)COC)n1.
What is the InChIKey of 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is CKPZFCQPWQVDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-11-16-12(14-3)8-13(17-11)15-10(6-2)9-18-4/h8,10H,5-7,9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80950094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).