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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Related Compounds

2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide
CID 163319538
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 91793755
2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131925868
2-amino-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99929661
7-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 122555918
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131926128
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide
CID 91794683
2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide
CID 114220508
3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 118793940
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3R,6S)-3-(dimethylamino)-6-(hydroxymethyl)azepan-1-yl]methanone
CID 169412652
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 91798019
N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 91792914

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).