4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine

C9H16N4O — CID 78929961

IUPAC4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
SMILESCOCCC(C)Nc1cc(N)ncn1
InChIInChI=1S/C9H16N4O/c1-7(3-4-14-2)13-9-5-8(10)11-6-12-9/h5-7H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyPYBSQBKQFMETSL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.90
Rot. Bonds5

About 4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine

4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine (PubChem CID 78929961) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
PubChem CID78929961
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
SMILESCOCCC(C)Nc1cc(N)ncn1
InChIInChI=1S/C9H16N4O/c1-7(3-4-14-2)13-9-5-8(10)11-6-12-9/h5-7H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyPYBSQBKQFMETSL-UHFFFAOYSA-N
XLogP0.90
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 78929734
N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106972875
N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66329609
4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol
CID 80852295
N-(4-methoxybutan-2-yl)-4-methylpyridin-2-amine
CID 64604062
methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
CID 114090411
6-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80932214
5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
CID 106811981
6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 115416424
N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 61242089
5-methoxy-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 103932146
N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 62732717

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine (CID 78929961) is 4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine is COCCC(C)Nc1cc(N)ncn1.
What is the InChIKey of 4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is PYBSQBKQFMETSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(3-4-14-2)13-9-5-8(10)11-6-12-9/h5-7H,3-4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine?
4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 78929961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).