(3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol

C13H20N4O2 — CID 72888379

IUPAC(3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol
SMILESCOc1cc(N2C[C@@H](C)[C@](O)(C3CC3)C2)nc(N)n1
InChIInChI=1S/C13H20N4O2/c1-8-6-17(7-13(8,18)9-3-4-9)10-5-11(19-2)16-12(14)15-10/h5,8-9,18H,3-4,6-7H2,1-2H3,(H2,14,15,16)/t8-,13+/m1/s1
InChIKeyHZXQCICVJGAQJS-OQPBUACISA-N
MW264.33 g/mol
LogP0.66
Rot. Bonds3

About (3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol

(3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol (PubChem CID 72888379) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol
PubChem CID72888379
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol
SMILESCOc1cc(N2C[C@@H](C)[C@](O)(C3CC3)C2)nc(N)n1
InChIInChI=1S/C13H20N4O2/c1-8-6-17(7-13(8,18)9-3-4-9)10-5-11(19-2)16-12(14)15-10/h5,8-9,18H,3-4,6-7H2,1-2H3,(H2,14,15,16)/t8-,13+/m1/s1
InChIKeyHZXQCICVJGAQJS-OQPBUACISA-N
XLogP0.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol with MolForge

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Related Compounds

(3R*,4R*)-3-cyclopropyl-1-(6-methoxy-4-pyrimidinyl)-4-methyl-3-pyrrolidinol
CID 72866606
4-[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]-6-isopropoxy-2-pyrimidinamine
CID 72867958
(3S*,4S*)-1-(2-amino-6-methoxy-4-pyrimidinyl)-4-propyl-3-pyrrolidinecarboxylic acid
CID 72872612
(3R*,4R*)-1-(2-amino-6-isopropoxy-4-pyrimidinyl)-3,4-dimethyl-3-pyrrolidinol
CID 72905059
(1-{[(2-Amino-6-methoxypyrimidin-4-yl)(methyl)amino]methyl}cyclopentyl)methanol
CID 132423754
(3R)-3-[(dimethylamino)methyl]-1-(6-ethoxy-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 164638993
(3R)-1-(2-Amino-6-isopropoxypyrimidin-4-YL)pyrrolidin-3-OL
CID 50968139
1-(6-Methoxypyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 50979330
2-[(3S)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 39804505
2-[(3R)-1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 39804507
2-[1-(2,6-Dimethoxy-4-pyrimidinyl)-3-piperidinyl]ethanamine
CID 45219610
4-Methoxy-6-[3-(methoxymethyl)-1-pyrrolidinyl]-2-pyrimidinamine
CID 45226507

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol (CID 72888379) is (3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol is COc1cc(N2C[C@@H](C)[C@](O)(C3CC3)C2)nc(N)n1.
What is the InChIKey of (3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol?
The InChIKey is HZXQCICVJGAQJS-OQPBUACISA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-6-17(7-13(8,18)9-3-4-9)10-5-11(19-2)16-12(14)15-10/h5,8-9,18H,3-4,6-7H2,1-2H3,(H2,14,15,16)/t8-,13+/m1/s1.
What are the key properties of (3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol?
(3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol has a molecular weight of 264.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-amino-6-methoxypyrimidin-4-yl)-3-cyclopropyl-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 72888379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).