N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine

C17H23N5O2 — CID 92593074

IUPACN-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine
SMILESCCOCCCNc1ncc(-c2cnccn2)c([C@H]2CCCO2)n1
InChIInChI=1S/C17H23N5O2/c1-2-23-9-4-6-20-17-21-11-13(14-12-18-7-8-19-14)16(22-17)15-5-3-10-24-15/h7-8,11-12,15H,2-6,9-10H2,1H3,(H,20,21,22)/t15-/m1/s1
InChIKeyKAQKWCQVCNYQGP-OAHLLOKOSA-N
MW329.40 g/mol
LogP2.62
Rot. Bonds8

About N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine

N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine (PubChem CID 92593074) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine
PubChem CID92593074
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine
SMILESCCOCCCNc1ncc(-c2cnccn2)c([C@H]2CCCO2)n1
InChIInChI=1S/C17H23N5O2/c1-2-23-9-4-6-20-17-21-11-13(14-12-18-7-8-19-14)16(22-17)15-5-3-10-24-15/h7-8,11-12,15H,2-6,9-10H2,1H3,(H,20,21,22)/t15-/m1/s1
InChIKeyKAQKWCQVCNYQGP-OAHLLOKOSA-N
XLogP2.62
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 46953409
N-[(3,4-dimethoxyphenyl)methyl]-4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 46960849
N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457692
6-(3-ethoxypropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457595
6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457894
4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 51589156
N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
N,4-dicyclopropyl-5-pyrazin-2-ylpyrimidin-2-amine
CID 95857494
N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106562068
2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133381871
3-(oxolan-2-ylmethoxy)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 62762499
N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560091

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine (CID 92593074) is N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine is CCOCCCNc1ncc(-c2cnccn2)c([C@H]2CCCO2)n1.
What is the InChIKey of N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine?
The InChIKey is KAQKWCQVCNYQGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-23-9-4-6-20-17-21-11-13(14-12-18-7-8-19-14)16(22-17)15-5-3-10-24-15/h7-8,11-12,15H,2-6,9-10H2,1H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine?
N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine has a molecular weight of 329.40 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 92593074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).