(3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

C14H20N6O — CID 134701240

IUPAC(3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(Cc3cnc(N)nc3)C[C@@H]2O)n[nH]1
InChIInChI=1S/C14H20N6O/c1-9-2-12(19-18-9)3-11-7-20(8-13(11)21)6-10-4-16-14(15)17-5-10/h2,4-5,11,13,21H,3,6-8H2,1H3,(H,18,19)(H2,15,16,17)/t11-,13+/m1/s1
InChIKeyIIEYVJGEHYLXAQ-YPMHNXCESA-N
MW288.36 g/mol
LogP0.13
Rot. Bonds4

About (3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

(3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 134701240) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is (3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID134701240
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name(3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(Cc3cnc(N)nc3)C[C@@H]2O)n[nH]1
InChIInChI=1S/C14H20N6O/c1-9-2-12(19-18-9)3-11-7-20(8-13(11)21)6-10-4-16-14(15)17-5-10/h2,4-5,11,13,21H,3,6-8H2,1H3,(H,18,19)(H2,15,16,17)/t11-,13+/m1/s1
InChIKeyIIEYVJGEHYLXAQ-YPMHNXCESA-N
XLogP0.13
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol (CID 134701240) is (3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol is Cc1cc(C[C@@H]2CN(Cc3cnc(N)nc3)C[C@@H]2O)n[nH]1.
What is the InChIKey of (3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is IIEYVJGEHYLXAQ-YPMHNXCESA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-2-12(19-18-9)3-11-7-20(8-13(11)21)6-10-4-16-14(15)17-5-10/h2,4-5,11,13,21H,3,6-8H2,1H3,(H,18,19)(H2,15,16,17)/t11-,13+/m1/s1.
What are the key properties of (3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
(3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 288.36 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(2-aminopyrimidin-5-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 134701240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).