2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide

C14H23N5O2 — CID 122569489

IUPAC2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(C(C)C)nc(N)n1
InChIInChI=1S/C14H23N5O2/c1-8(2)9-5-10(18-14(15)17-9)13(20)16-11-6-19(3)7-12(11)21-4/h5,8,11-12H,6-7H2,1-4H3,(H,16,20)(H2,15,17,18)/t11-,12-/m0/s1
InChIKeyABEJGFRDOAWUBS-RYUDHWBXSA-N
MW293.37 g/mol
LogP0.24
Rot. Bonds4

About 2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide

2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 122569489) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID122569489
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(C(C)C)nc(N)n1
InChIInChI=1S/C14H23N5O2/c1-8(2)9-5-10(18-14(15)17-9)13(20)16-11-6-19(3)7-12(11)21-4/h5,8,11-12H,6-7H2,1-4H3,(H,16,20)(H2,15,17,18)/t11-,12-/m0/s1
InChIKeyABEJGFRDOAWUBS-RYUDHWBXSA-N
XLogP0.24
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide (CID 122569489) is 2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide is CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(C(C)C)nc(N)n1.
What is the InChIKey of 2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is ABEJGFRDOAWUBS-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-8(2)9-5-10(18-14(15)17-9)13(20)16-11-6-19(3)7-12(11)21-4/h5,8,11-12H,6-7H2,1-4H3,(H,16,20)(H2,15,17,18)/t11-,12-/m0/s1.
What are the key properties of 2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide?
2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 122569489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).