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

C13H20N4O — CID 72858871

IUPAC(3R,4R)-3-cyclopropyl-4-methyl-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCNc1ccnc(N2C[C@@H](C)[C@](O)(C3CC3)C2)n1
InChIInChI=1S/C13H20N4O/c1-9-7-17(8-13(9,18)10-3-4-10)12-15-6-5-11(14-2)16-12/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,14,15,16)/t9-,13+/m1/s1
InChIKeyGDOXTJWQXXQHAG-RNCFNFMXSA-N
MW248.33 g/mol
LogP1.12
Rot. Bonds3

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

(3R,4R)-3-cyclopropyl-4-methyl-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 72858871) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (3R,4R)-3-cyclopropyl-4-methyl-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3-cyclopropyl-4-methyl-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID72858871
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(3R,4R)-3-cyclopropyl-4-methyl-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCNc1ccnc(N2C[C@@H](C)[C@](O)(C3CC3)C2)n1
InChIInChI=1S/C13H20N4O/c1-9-7-17(8-13(9,18)10-3-4-10)12-15-6-5-11(14-2)16-12/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,14,15,16)/t9-,13+/m1/s1
InChIKeyGDOXTJWQXXQHAG-RNCFNFMXSA-N
XLogP1.12
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.12
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-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3-cyclopropyl-4-methyl-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol (CID 72858871) is (3R,4R)-3-cyclopropyl-4-methyl-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3-cyclopropyl-4-methyl-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3-cyclopropyl-4-methyl-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol is CNc1ccnc(N2C[C@@H](C)[C@](O)(C3CC3)C2)n1.
What is the InChIKey of (3R,4R)-3-cyclopropyl-4-methyl-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is GDOXTJWQXXQHAG-RNCFNFMXSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-7-17(8-13(9,18)10-3-4-10)12-15-6-5-11(14-2)16-12/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,14,15,16)/t9-,13+/m1/s1.
What are the key properties of (3R,4R)-3-cyclopropyl-4-methyl-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol?
(3R,4R)-3-cyclopropyl-4-methyl-1-[4-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 248.33 g/mol, XLogP of 1.12, 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-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 72858871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).