N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine

C12H17N5O — CID 82874280

IUPACN-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NCc2ccn(C)n2)ncn1
InChIInChI=1S/C12H17N5O/c1-9(2)18-12-6-11(14-8-15-12)13-7-10-4-5-17(3)16-10/h4-6,8-9H,7H2,1-3H3,(H,13,14,15)
InChIKeyQJLDULYWNIIYIY-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.61
Rot. Bonds5

About N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine

N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 82874280) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine
PubChem CID82874280
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NCc2ccn(C)n2)ncn1
InChIInChI=1S/C12H17N5O/c1-9(2)18-12-6-11(14-8-15-12)13-7-10-4-5-17(3)16-10/h4-6,8-9H,7H2,1-3H3,(H,13,14,15)
InChIKeyQJLDULYWNIIYIY-UHFFFAOYSA-N
XLogP1.61
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66327152
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329570
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 106374307
1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166550
N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66325096
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 66329217
6-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873499
2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine
CID 113283234
6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82872861

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine (CID 82874280) is N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine is CC(C)Oc1cc(NCc2ccn(C)n2)ncn1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is QJLDULYWNIIYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(2)18-12-6-11(14-8-15-12)13-7-10-4-5-17(3)16-10/h4-6,8-9H,7H2,1-3H3,(H,13,14,15).
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine?
N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 82874280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).