N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide

C14H21N3O2 — CID 125436188

IUPACN-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCC[C@H]1CCOC1
InChIInChI=1S/C14H21N3O2/c1-2-3-13-12(8-15-10-17-13)14(18)16-6-4-11-5-7-19-9-11/h8,10-11H,2-7,9H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyJTSAPPNRNSMMQI-NSHDSACASA-N
MW263.34 g/mol
LogP1.59
Rot. Bonds6

About N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide

N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 125436188) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide
PubChem CID125436188
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCC[C@H]1CCOC1
InChIInChI=1S/C14H21N3O2/c1-2-3-13-12(8-15-10-17-13)14(18)16-6-4-11-5-7-19-9-11/h8,10-11H,2-7,9H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyJTSAPPNRNSMMQI-NSHDSACASA-N
XLogP1.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-[(tetrahydrofuran-2-ylmethyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665450
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CID 53502292
N-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53502557
N-(2-morpholin-4-ylethyl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 53505726
4-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide
CID 53506050
4-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 53506680
N-[2-(2-methylpiperidin-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53506851
N-[2-(azepan-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53527654
N-{[8-(5-acetyl-4-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72912414
4-[2-[(2-Cyclopentylacetyl)amino]ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 92619509
2-{2-Methyl-5-oxo-5H,6H,7H,8H,9H-pyrimido[5,4-C]azepin-6-YL}-N-(3-methylbutyl)acetamide
CID 124072835
N-[(3R*,4S*)-4-isopropyl-1-(methylsulfonyl)-3-pyrrolidinyl]-4-propyl-5-pyrimidinecarboxamide
CID 72886668

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide (CID 125436188) is N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NCC[C@H]1CCOC1.
What is the InChIKey of N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is JTSAPPNRNSMMQI-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-3-13-12(8-15-10-17-13)14(18)16-6-4-11-5-7-19-9-11/h8,10-11H,2-7,9H2,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide?
N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-oxolan-3-yl]ethyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 125436188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).