4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine

C10H17N3O2 — CID 112688333

IUPAC4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
SMILESCOCCC(C)Nc1nccc(OC)n1
InChIInChI=1S/C10H17N3O2/c1-8(5-7-14-2)12-10-11-6-4-9(13-10)15-3/h4,6,8H,5,7H2,1-3H3,(H,11,12,13)
InChIKeyHOTZWXGGAHMRFQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.32
Rot. Bonds6

About 4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine

4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine (PubChem CID 112688333) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
PubChem CID112688333
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
SMILESCOCCC(C)Nc1nccc(OC)n1
InChIInChI=1S/C10H17N3O2/c1-8(5-7-14-2)12-10-11-6-4-9(13-10)15-3/h4,6,8H,5,7H2,1-3H3,(H,11,12,13)
InChIKeyHOTZWXGGAHMRFQ-UHFFFAOYSA-N
XLogP1.32
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 62732717
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
CID 112638478
4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine
CID 112686316
4-methoxy-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-2-amine
CID 112685180
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
CID 62958383
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
N-(1-chlorobutan-2-yl)-4-methoxypyrimidin-2-amine
CID 65030298
4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
CID 26006023
N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine
CID 115657840

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine (CID 112688333) is 4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine is COCCC(C)Nc1nccc(OC)n1.
What is the InChIKey of 4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine?
The InChIKey is HOTZWXGGAHMRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(5-7-14-2)12-10-11-6-4-9(13-10)15-3/h4,6,8H,5,7H2,1-3H3,(H,11,12,13).
What are the key properties of 4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine?
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine has a molecular weight of 211.26 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 112688333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).