(3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine

C12H20N4O — CID 133134026

IUPAC(3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine
SMILESCOc1cnc(N2C[C@@H](N)[C@H](C(C)C)C2)nc1
InChIInChI=1S/C12H20N4O/c1-8(2)10-6-16(7-11(10)13)12-14-4-9(17-3)5-15-12/h4-5,8,10-11H,6-7,13H2,1-3H3/t10-,11+/m0/s1
InChIKeyITHMFVQHAJKTMA-WDEREUQCSA-N
MW236.32 g/mol
LogP0.90
Rot. Bonds3

About (3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine

(3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine (PubChem CID 133134026) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine
PubChem CID133134026
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine
SMILESCOc1cnc(N2C[C@@H](N)[C@H](C(C)C)C2)nc1
InChIInChI=1S/C12H20N4O/c1-8(2)10-6-16(7-11(10)13)12-14-4-9(17-3)5-15-12/h4-5,8,10-11H,6-7,13H2,1-3H3/t10-,11+/m0/s1
InChIKeyITHMFVQHAJKTMA-WDEREUQCSA-N
XLogP0.90
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 154898279
1-(5-methoxypyrimidin-2-yl)azetidin-3-ol
CID 118346552
2-(azetidin-1-yl)-5-methoxypyrimidine
CID 163343627
(3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine
CID 72882074
1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 154883318
N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine
CID 135136626
1-(5-methoxypyrimidin-2-yl)-N,4-dimethylpiperidin-4-amine
CID 114601002
2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol
CID 172899246
[(3aS,4R,5R,6S,7S,7aR)-6-amino-7-hydroxy-2-(5-methoxypyrimidin-2-yl)-5-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]-piperidin-1-ylmethanone
CID 165422786
5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine
CID 166704946
bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride
CID 153410114
1-(5-bromo-4-methoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 106998228

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine (CID 133134026) is (3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine is COc1cnc(N2C[C@@H](N)[C@H](C(C)C)C2)nc1.
What is the InChIKey of (3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine?
The InChIKey is ITHMFVQHAJKTMA-WDEREUQCSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)10-6-16(7-11(10)13)12-14-4-9(17-3)5-15-12/h4-5,8,10-11H,6-7,13H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine?
(3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine has a molecular weight of 236.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 133134026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).