N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C13H17N5O — CID 125170815

IUPACN-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1cc(CNc2cc([C@H]3CCOC3)ncn2)n[nH]1
InChIInChI=1S/C13H17N5O/c1-9-4-11(18-17-9)6-14-13-5-12(15-8-16-13)10-2-3-19-7-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,17,18)(H,14,15,16)/t10-/m0/s1
InChIKeyQFHSJGTZUOAERK-JTQLQIEISA-N
MW259.31 g/mol
LogP1.62
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 125170815) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID125170815
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1cc(CNc2cc([C@H]3CCOC3)ncn2)n[nH]1
InChIInChI=1S/C13H17N5O/c1-9-4-11(18-17-9)6-14-13-5-12(15-8-16-13)10-2-3-19-7-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,17,18)(H,14,15,16)/t10-/m0/s1
InChIKeyQFHSJGTZUOAERK-JTQLQIEISA-N
XLogP1.62
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 125170815) is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is Cc1cc(CNc2cc([C@H]3CCOC3)ncn2)n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is QFHSJGTZUOAERK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-4-11(18-17-9)6-14-13-5-12(15-8-16-13)10-2-3-19-7-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,17,18)(H,14,15,16)/t10-/m0/s1.
What are the key properties of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125170815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).