N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine

C20H23N5O — CID 138033808

IUPACN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine
SMILESCn1nccc1[C@@H]1OCCC[C@H]1CNc1ncncc1-c1ccccc1
InChIInChI=1S/C20H23N5O/c1-25-18(9-10-24-25)19-16(8-5-11-26-19)12-22-20-17(13-21-14-23-20)15-6-3-2-4-7-15/h2-4,6-7,9-10,13-14,16,19H,5,8,11-12H2,1H3,(H,21,22,23)/t16-,19+/m0/s1
InChIKeyAOPMJSDKZPXPPB-QFBILLFUSA-N
MW349.44 g/mol
LogP3.46
Rot. Bonds5

About N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine

N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine (PubChem CID 138033808) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine
PubChem CID138033808
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine
SMILESCn1nccc1[C@@H]1OCCC[C@H]1CNc1ncncc1-c1ccccc1
InChIInChI=1S/C20H23N5O/c1-25-18(9-10-24-25)19-16(8-5-11-26-19)12-22-20-17(13-21-14-23-20)15-6-3-2-4-7-15/h2-4,6-7,9-10,13-14,16,19H,5,8,11-12H2,1H3,(H,21,22,23)/t16-,19+/m0/s1
InChIKeyAOPMJSDKZPXPPB-QFBILLFUSA-N
XLogP3.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine with MolForge

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Related Compounds

5-methyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 167940033
1-methyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 166278799
1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine
CID 167905175
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 167949484
5-bromo-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 128992017
5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine
CID 100694634
5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 129005887
3-N,3-N-dimethyl-5-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 154761414
5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 100694651
1,2-dimethyl-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]guanidine
CID 120965775
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
4-N-(3-methoxy-4-methylpentyl)-1-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]phthalazine-1,4-diamine
CID 167800023

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine?
The IUPAC name of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine (CID 138033808) is N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine?
The canonical SMILES for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine is Cn1nccc1[C@@H]1OCCC[C@H]1CNc1ncncc1-c1ccccc1.
What is the InChIKey of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine?
The InChIKey is AOPMJSDKZPXPPB-QFBILLFUSA-N. The full InChI is InChI=1S/C20H23N5O/c1-25-18(9-10-24-25)19-16(8-5-11-26-19)12-22-20-17(13-21-14-23-20)15-6-3-2-4-7-15/h2-4,6-7,9-10,13-14,16,19H,5,8,11-12H2,1H3,(H,21,22,23)/t16-,19+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine?
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine is sourced from PubChem (CID 138033808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).