6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C16H20ClN3S — CID 80980118

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1N(Cc1cccs1)C(C)C
InChIInChI=1S/C16H20ClN3S/c1-10(2)20(9-13-5-4-8-21-13)16-11(3)14(17)18-15(19-16)12-6-7-12/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyFICKPVONKBFWTR-UHFFFAOYSA-N
MW321.88 g/mol
LogP4.79
Rot. Bonds5

About 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80980118) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID80980118
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1N(Cc1cccs1)C(C)C
InChIInChI=1S/C16H20ClN3S/c1-10(2)20(9-13-5-4-8-21-13)16-11(3)14(17)18-15(19-16)12-6-7-12/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyFICKPVONKBFWTR-UHFFFAOYSA-N
XLogP4.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63728632
6-chloro-4,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 63271982
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972466
6-hydrazinyl-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896519
3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102756801
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320935
6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953768
N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80973741
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80979874
6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80979010
1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80972496
6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80951010

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 80980118) is 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1N(Cc1cccs1)C(C)C.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is FICKPVONKBFWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-10(2)20(9-13-5-4-8-21-13)16-11(3)14(17)18-15(19-16)12-6-7-12/h4-5,8,10,12H,6-7,9H2,1-3H3.
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 321.88 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80980118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).