N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide

C26H23N5O3 — CID 146299539

IUPACN-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2nc(N(C(=O)C3CC3)C(=O)C3CC3)ncc2-c2ccc3ncnc(C)c3c2)o1
InChIInChI=1S/C26H23N5O3/c1-14-3-10-22(34-14)23-20(18-8-9-21-19(11-18)15(2)28-13-29-21)12-27-26(30-23)31(24(32)16-4-5-16)25(33)17-6-7-17/h3,8-13,16-17H,4-7H2,1-2H3
InChIKeyPCWSEYDKZNIQFF-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.64
Rot. Bonds5

About N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide

N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide (PubChem CID 146299539) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide
PubChem CID146299539
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC NameN-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2nc(N(C(=O)C3CC3)C(=O)C3CC3)ncc2-c2ccc3ncnc(C)c3c2)o1
InChIInChI=1S/C26H23N5O3/c1-14-3-10-22(34-14)23-20(18-8-9-21-19(11-18)15(2)28-13-29-21)12-27-26(30-23)31(24(32)16-4-5-16)25(33)17-6-7-17/h3,8-13,16-17H,4-7H2,1-2H3
InChIKeyPCWSEYDKZNIQFF-UHFFFAOYSA-N
XLogP4.64
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide (CID 146299539) is N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide is Cc1ccc(-c2nc(N(C(=O)C3CC3)C(=O)C3CC3)ncc2-c2ccc3ncnc(C)c3c2)o1.
What is the InChIKey of N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide?
The InChIKey is PCWSEYDKZNIQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-14-3-10-22(34-14)23-20(18-8-9-21-19(11-18)15(2)28-13-29-21)12-27-26(30-23)31(24(32)16-4-5-16)25(33)17-6-7-17/h3,8-13,16-17H,4-7H2,1-2H3.
What are the key properties of N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide?
N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide has a molecular weight of 453.50 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropanecarbonyl)-N-[4-(5-methylfuran-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146299539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).