(2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

C17H25N5O2 — CID 56713832

IUPAC(2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1nc(C2CC2)ncc1C(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C17H25N5O2/c1-9(2)20-16(23)14-6-12(18)8-22(14)17(24)13-7-19-15(11-4-5-11)21-10(13)3/h7,9,11-12,14H,4-6,8,18H2,1-3H3,(H,20,23)/t12-,14-/m0/s1
InChIKeyJQLMRCAZZYGJCT-JSGCOSHPSA-N
MW331.42 g/mol
LogP0.73
Rot. Bonds4

About (2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56713832) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56713832
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1nc(C2CC2)ncc1C(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C17H25N5O2/c1-9(2)20-16(23)14-6-12(18)8-22(14)17(24)13-7-19-15(11-4-5-11)21-10(13)3/h7,9,11-12,14H,4-6,8,18H2,1-3H3,(H,20,23)/t12-,14-/m0/s1
InChIKeyJQLMRCAZZYGJCT-JSGCOSHPSA-N
XLogP0.73
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56713832) is (2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is Cc1nc(C2CC2)ncc1C(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C.
What is the InChIKey of (2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is JQLMRCAZZYGJCT-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-9(2)20-16(23)14-6-12(18)8-22(14)17(24)13-7-19-15(11-4-5-11)21-10(13)3/h7,9,11-12,14H,4-6,8,18H2,1-3H3,(H,20,23)/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56713832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).