(3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol

C14H22N4O — CID 72938544

IUPAC(3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCNc1cc(C)nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)n1
InChIInChI=1S/C14H22N4O/c1-9-7-18(8-14(9,19)11-4-5-11)13-16-10(2)6-12(15-3)17-13/h6,9,11,19H,4-5,7-8H2,1-3H3,(H,15,16,17)/t9-,14+/m1/s1
InChIKeyFIEMMTNBELNQQO-OTYXRUKQSA-N
MW262.36 g/mol
LogP1.42
Rot. Bonds3

About (3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol

(3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 72938544) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID72938544
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCNc1cc(C)nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)n1
InChIInChI=1S/C14H22N4O/c1-9-7-18(8-14(9,19)11-4-5-11)13-16-10(2)6-12(15-3)17-13/h6,9,11,19H,4-5,7-8H2,1-3H3,(H,15,16,17)/t9-,14+/m1/s1
InChIKeyFIEMMTNBELNQQO-OTYXRUKQSA-N
XLogP1.42
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol (CID 72938544) is (3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol is CNc1cc(C)nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)n1.
What is the InChIKey of (3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is FIEMMTNBELNQQO-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-7-18(8-14(9,19)11-4-5-11)13-16-10(2)6-12(15-3)17-13/h6,9,11,19H,4-5,7-8H2,1-3H3,(H,15,16,17)/t9-,14+/m1/s1.
What are the key properties of (3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol?
(3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 262.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 72938544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).