5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine

C16H15ClN6S — CID 90381576

IUPAC5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine
SMILES[H]/N=C(\C)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C16H15ClN6S/c1-8(18)12-4-5-13(24-12)16-19-7-10(17)15(21-16)20-14-6-11(22-23-14)9-2-3-9/h4-7,9,18H,2-3H2,1H3,(H2,19,20,21,22,23)/b18-8+
InChIKeyVWXIPOAJGOIDJQ-QGMBQPNBSA-N
MW358.86 g/mol
LogP4.59
Rot. Bonds5

About 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine

5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 90381576) has the molecular formula C16H15ClN6S and a molecular weight of 358.86 g/mol. Its IUPAC name is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine
PubChem CID90381576
Molecular FormulaC16H15ClN6S
Molecular Weight358.86 g/mol
Exact Mass358.08
IUPAC Name5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine
SMILES[H]/N=C(\C)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C16H15ClN6S/c1-8(18)12-4-5-13(24-12)16-19-7-10(17)15(21-16)20-14-6-11(22-23-14)9-2-3-9/h4-7,9,18H,2-3H2,1H3,(H2,19,20,21,22,23)/b18-8+
InChIKeyVWXIPOAJGOIDJQ-QGMBQPNBSA-N
XLogP4.59
TPSA90.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.86
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfinylthiophen-2-yl)pyrimidin-4-amine
CID 58169128
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboximidamide;1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethane-1,2-diol;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethane-1,2-diol;molecular hydrogen
CID 158598531
methyl N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]carbamate
CID 58169237
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine
CID 90383982
CID 70792463
CID 70792463
5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
CID 58169441
methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;hydrochloride
CID 86651549
(1R)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]ethanol;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]ethanone
CID 161208737
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 58169387
2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2,3-dihydrothiophene-5-carboximidamide
CID 88974046
4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzoic acid
CID 58169209
1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethane-1,2-diol
CID 50943955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine (CID 90381576) is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine is [H]/N=C(\C)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is VWXIPOAJGOIDJQ-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H15ClN6S/c1-8(18)12-4-5-13(24-12)16-19-7-10(17)15(21-16)20-14-6-11(22-23-14)9-2-3-9/h4-7,9,18H,2-3H2,1H3,(H2,19,20,21,22,23)/b18-8+.
What are the key properties of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine?
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 358.86 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 90381576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).