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

C13H24N4O — CID 80959645

IUPAC4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(COC)Nc1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-6-10(8-18-5)15-12-7-11(14-4)16-13(17-12)9(2)3/h7,9-10H,6,8H2,1-5H3,(H2,14,15,16,17)
InChIKeyCJPUBMSCBSSOCC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.48
Rot. Bonds7

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

4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80959645) 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-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80959645
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(COC)Nc1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-6-10(8-18-5)15-12-7-11(14-4)16-13(17-12)9(2)3/h7,9-10H,6,8H2,1-5H3,(H2,14,15,16,17)
InChIKeyCJPUBMSCBSSOCC-UHFFFAOYSA-N
XLogP2.48
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80950094
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198670
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
6-N-(1-methoxybutan-2-yl)-2-N-methylpyridine-2,6-diamine
CID 80836609
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955647
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112
6-N-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957538
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80962058
4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837219
2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 80968993
3-methoxy-2-[[6-(methylamino)-2-phenylpyrimidin-4-yl]amino]propan-1-ol
CID 106198815

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80959645) is 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CCC(COC)Nc1cc(NC)nc(C(C)C)n1.
What is the InChIKey of 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is CJPUBMSCBSSOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-10(8-18-5)15-12-7-11(14-4)16-13(17-12)9(2)3/h7,9-10H,6,8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.48, 7 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-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80959645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).