(2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide

C15H25N5O — CID 56701065

IUPAC(2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C15H25N5O/c1-15(2,3)14-18-6-10(7-19-14)8-20-9-11(16)5-12(20)13(21)17-4/h6-7,11-12H,5,8-9,16H2,1-4H3,(H,17,21)/t11-,12+/m1/s1
InChIKeyRZDZMVHFAVOSCJ-NEPJUHHUSA-N
MW291.40 g/mol
LogP0.42
Rot. Bonds3

About (2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56701065) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID56701065
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C15H25N5O/c1-15(2,3)14-18-6-10(7-19-14)8-20-9-11(16)5-12(20)13(21)17-4/h6-7,11-12H,5,8-9,16H2,1-4H3,(H,17,21)/t11-,12+/m1/s1
InChIKeyRZDZMVHFAVOSCJ-NEPJUHHUSA-N
XLogP0.42
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 56701065) is (2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cnc(C(C)(C)C)nc1.
What is the InChIKey of (2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is RZDZMVHFAVOSCJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H25N5O/c1-15(2,3)14-18-6-10(7-19-14)8-20-9-11(16)5-12(20)13(21)17-4/h6-7,11-12H,5,8-9,16H2,1-4H3,(H,17,21)/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56701065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).