N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine

C12H15N3S — CID 126848920

IUPACN-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine
SMILESCCC(C)Nc1cc(-c2ccsc2)ncn1
InChIInChI=1S/C12H15N3S/c1-3-9(2)15-12-6-11(13-8-14-12)10-4-5-16-7-10/h4-9H,3H2,1-2H3,(H,13,14,15)
InChIKeyVXNLGQSXHRLUTG-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.42
Rot. Bonds4

About N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine

N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine (PubChem CID 126848920) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine
PubChem CID126848920
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine
SMILESCCC(C)Nc1cc(-c2ccsc2)ncn1
InChIInChI=1S/C12H15N3S/c1-3-9(2)15-12-6-11(13-8-14-12)10-4-5-16-7-10/h4-9H,3H2,1-2H3,(H,13,14,15)
InChIKeyVXNLGQSXHRLUTG-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine
CID 1235439
N-prop-2-enyl-6-thiophen-3-ylpyrimidin-4-amine
CID 126848892
N-(azetidin-3-yl)-6-thiophen-3-ylpyrimidin-4-amine
CID 126848907
9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine
CID 15983180
N-butan-2-yl-6-cyclobutylpyrimidin-4-amine
CID 126848123
4-N-butan-2-yl-6-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112855546
N-butan-2-yl-6-(cyclopropylmethyl)pyrimidin-4-amine
CID 126848220
6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine
CID 82477552
2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 143851562
tert-butyl 4-[(6-thiophen-3-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849937
4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 112855591
N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine
CID 71102325

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine (CID 126848920) is N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine is CCC(C)Nc1cc(-c2ccsc2)ncn1.
What is the InChIKey of N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is VXNLGQSXHRLUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-9(2)15-12-6-11(13-8-14-12)10-4-5-16-7-10/h4-9H,3H2,1-2H3,(H,13,14,15).
What are the key properties of N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine?
N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 233.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 126848920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).