(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine

C12H20N4 — CID 118720438

IUPAC(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
SMILESCN[C@@H]1CCN(c2ccnc(C(C)C)n2)C1
InChIInChI=1S/C12H20N4/c1-9(2)12-14-6-4-11(15-12)16-7-5-10(8-16)13-3/h4,6,9-10,13H,5,7-8H2,1-3H3/t10-/m1/s1
InChIKeyJBOXBEMBMIBJRE-SNVBAGLBSA-N
MW220.32 g/mol
LogP1.40
Rot. Bonds3

About (3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine

(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 118720438) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID118720438
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
SMILESCN[C@@H]1CCN(c2ccnc(C(C)C)n2)C1
InChIInChI=1S/C12H20N4/c1-9(2)12-14-6-4-11(15-12)16-7-5-10(8-16)13-3/h4,6,9-10,13H,5,7-8H2,1-3H3/t10-/m1/s1
InChIKeyJBOXBEMBMIBJRE-SNVBAGLBSA-N
XLogP1.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[amino(pyridin-2-yl)methyl]pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
CID 77235789
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136524880
N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 155974234
6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887829
CID 87167788
CID 87167788
4-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136581186
2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine
CID 172900711
2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 58227103
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine (CID 118720438) is (3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine is CN[C@@H]1CCN(c2ccnc(C(C)C)n2)C1.
What is the InChIKey of (3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is JBOXBEMBMIBJRE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(2)12-14-6-4-11(15-12)16-7-5-10(8-16)13-3/h4,6,9-10,13H,5,7-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine?
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 118720438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).