N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine

C18H19N5O — CID 167914287

IUPACN-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine
SMILESc1ccc(Oc2ccnc(NCc3cc(C4CCC4)n[nH]3)n2)cc1
InChIInChI=1S/C18H19N5O/c1-2-7-15(8-3-1)24-17-9-10-19-18(21-17)20-12-14-11-16(23-22-14)13-5-4-6-13/h1-3,7-11,13H,4-6,12H2,(H,22,23)(H,19,20,21)
InChIKeyCOOWPQILEJNYSC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.87
Rot. Bonds6

About N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine

N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine (PubChem CID 167914287) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine
PubChem CID167914287
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine
SMILESc1ccc(Oc2ccnc(NCc3cc(C4CCC4)n[nH]3)n2)cc1
InChIInChI=1S/C18H19N5O/c1-2-7-15(8-3-1)24-17-9-10-19-18(21-17)20-12-14-11-16(23-22-14)13-5-4-6-13/h1-3,7-11,13H,4-6,12H2,(H,22,23)(H,19,20,21)
InChIKeyCOOWPQILEJNYSC-UHFFFAOYSA-N
XLogP3.87
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile
CID 167855530
N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine
CID 167822808
4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 138050709
N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine
CID 167923389
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine
CID 166229235
tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate
CID 167858499
4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 167852738
N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553610
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70734186
N-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dithiin-5-yl)-4-phenoxypyrimidin-2-amine
CID 167881536
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 133411339
4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 56574207

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine?
The IUPAC name of N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine (CID 167914287) is N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine.
What is the SMILES notation for N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine?
The canonical SMILES for N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine is c1ccc(Oc2ccnc(NCc3cc(C4CCC4)n[nH]3)n2)cc1.
What is the InChIKey of N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine?
The InChIKey is COOWPQILEJNYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-7-15(8-3-1)24-17-9-10-19-18(21-17)20-12-14-11-16(23-22-14)13-5-4-6-13/h1-3,7-11,13H,4-6,12H2,(H,22,23)(H,19,20,21).
What are the key properties of N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine?
N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine has a molecular weight of 321.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine is sourced from PubChem (CID 167914287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).