(3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol

C12H20N4O — CID 122566462

IUPAC(3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol
SMILESCCCc1cnc(C)nc1N[C@@H]1CNC[C@H]1O
InChIInChI=1S/C12H20N4O/c1-3-4-9-5-14-8(2)15-12(9)16-10-6-13-7-11(10)17/h5,10-11,13,17H,3-4,6-7H2,1-2H3,(H,14,15,16)/t10-,11-/m1/s1
InChIKeySEDZEOFQDBWCRJ-GHMZBOCLSA-N
MW236.32 g/mol
LogP0.48
Rot. Bonds4

About (3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol

(3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol (PubChem CID 122566462) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol
PubChem CID122566462
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol
SMILESCCCc1cnc(C)nc1N[C@@H]1CNC[C@H]1O
InChIInChI=1S/C12H20N4O/c1-3-4-9-5-14-8(2)15-12(9)16-10-6-13-7-11(10)17/h5,10-11,13,17H,3-4,6-7H2,1-2H3,(H,14,15,16)/t10-,11-/m1/s1
InChIKeySEDZEOFQDBWCRJ-GHMZBOCLSA-N
XLogP0.48
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol (CID 122566462) is (3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol is CCCc1cnc(C)nc1N[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol?
The InChIKey is SEDZEOFQDBWCRJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-4-9-5-14-8(2)15-12(9)16-10-6-13-7-11(10)17/h5,10-11,13,17H,3-4,6-7H2,1-2H3,(H,14,15,16)/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol?
(3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol has a molecular weight of 236.32 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 122566462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).