(2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide

C18H21N5O2S — CID 41138316

IUPAC(2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide
SMILESC[C@@H](Sc1nc(NC2CC2)c2ccccc2n1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C18H21N5O2S/c1-10(16(24)23-17(25)20-12-8-9-12)26-18-21-14-5-3-2-4-13(14)15(22-18)19-11-6-7-11/h2-5,10-12H,6-9H2,1H3,(H,19,21,22)(H2,20,23,24,25)/t10-/m1/s1
InChIKeyRWHCAZAVQYUDEF-SNVBAGLBSA-N
MW371.47 g/mol
LogP2.67
Rot. Bonds6

About (2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide

(2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide (PubChem CID 41138316) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is (2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide
PubChem CID41138316
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name(2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide
SMILESC[C@@H](Sc1nc(NC2CC2)c2ccccc2n1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C18H21N5O2S/c1-10(16(24)23-17(25)20-12-8-9-12)26-18-21-14-5-3-2-4-13(14)15(22-18)19-11-6-7-11/h2-5,10-12H,6-9H2,1H3,(H,19,21,22)(H2,20,23,24,25)/t10-/m1/s1
InChIKeyRWHCAZAVQYUDEF-SNVBAGLBSA-N
XLogP2.67
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide (CID 41138316) is (2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide is C[C@@H](Sc1nc(NC2CC2)c2ccccc2n1)C(=O)NC(=O)NC1CC1.
What is the InChIKey of (2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide?
The InChIKey is RWHCAZAVQYUDEF-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-10(16(24)23-17(25)20-12-8-9-12)26-18-21-14-5-3-2-4-13(14)15(22-18)19-11-6-7-11/h2-5,10-12H,6-9H2,1H3,(H,19,21,22)(H2,20,23,24,25)/t10-/m1/s1.
What are the key properties of (2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide?
(2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide has a molecular weight of 371.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide is sourced from PubChem (CID 41138316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).