4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide

C21H19ClN6O2 — CID 123463139

IUPAC4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide
SMILESCc1nc2n(c1-c1ccnc(C3(c4ccc(C(=O)NO)cc4)CC3)n1)CN(Cl)C=C2
InChIInChI=1S/C21H19ClN6O2/c1-13-18(28-12-27(22)11-7-17(28)24-13)16-6-10-23-20(25-16)21(8-9-21)15-4-2-14(3-5-15)19(29)26-30/h2-7,10-11,30H,8-9,12H2,1H3,(H,26,29)
InChIKeyNWVNYEMOJMWISE-UHFFFAOYSA-N
MW422.88 g/mol
LogP3.25
Rot. Bonds4

About 4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide

4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide (PubChem CID 123463139) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is 4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide
PubChem CID123463139
Molecular FormulaC21H19ClN6O2
Molecular Weight422.88 g/mol
Exact Mass422.13
IUPAC Name4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide
SMILESCc1nc2n(c1-c1ccnc(C3(c4ccc(C(=O)NO)cc4)CC3)n1)CN(Cl)C=C2
InChIInChI=1S/C21H19ClN6O2/c1-13-18(28-12-27(22)11-7-17(28)24-13)16-6-10-23-20(25-16)21(8-9-21)15-4-2-14(3-5-15)19(29)26-30/h2-7,10-11,30H,8-9,12H2,1H3,(H,26,29)
InChIKeyNWVNYEMOJMWISE-UHFFFAOYSA-N
XLogP3.25
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide?
The IUPAC name of 4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide (CID 123463139) is 4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide is Cc1nc2n(c1-c1ccnc(C3(c4ccc(C(=O)NO)cc4)CC3)n1)CN(Cl)C=C2.
What is the InChIKey of 4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide?
The InChIKey is NWVNYEMOJMWISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2/c1-13-18(28-12-27(22)11-7-17(28)24-13)16-6-10-23-20(25-16)21(8-9-21)15-4-2-14(3-5-15)19(29)26-30/h2-7,10-11,30H,8-9,12H2,1H3,(H,26,29).
What are the key properties of 4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide?
4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide has a molecular weight of 422.88 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(6-chloro-2-methyl-5H-imidazo[1,2-c]pyrimidin-3-yl)pyrimidin-2-yl]cyclopropyl]-N-hydroxybenzamide is sourced from PubChem (CID 123463139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).