N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

C17H26N4O2 — CID 72922340

IUPACN-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(CC2CCC2)CC2CCCO2)cn1
InChIInChI=1S/C17H26N4O2/c1-2-18-17-19-9-14(10-20-17)16(22)21(11-13-5-3-6-13)12-15-7-4-8-23-15/h9-10,13,15H,2-8,11-12H2,1H3,(H,18,19,20)
InChIKeyQWBXEFAOMMTNAB-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.33
Rot. Bonds7

About N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 72922340) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID72922340
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(CC2CCC2)CC2CCCO2)cn1
InChIInChI=1S/C17H26N4O2/c1-2-18-17-19-9-14(10-20-17)16(22)21(11-13-5-3-6-13)12-15-7-4-8-23-15/h9-10,13,15H,2-8,11-12H2,1H3,(H,18,19,20)
InChIKeyQWBXEFAOMMTNAB-UHFFFAOYSA-N
XLogP2.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{2-[(2R)-2-(Methoxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl}[(3R)-3-methyl-1,4'-bipiperidin-1'-yl]methanone
CID 118190160
N-ethyl-5-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}-2-pyrimidinamine
CID 56863342
4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 70687944
2-(ethylamino)-N-1-oxaspiro[4.4]non-3-yl-5-pyrimidinecarboxamide
CID 72899572
N-{[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72937737
Azepan-1-yl-[4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]methanone
CID 110246370
N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide
CID 110246686
N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20863907
N-(2-Methoxyethyl)-2-(pyrrolidin-1-YL)pyrimidine-5-carboxamide
CID 20863909
3-(2-Ethylbutyl)-8-{[2-(methylamino)pyrimidin-5-yl]carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70728322
2-ethyl-5-{[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]carbonyl}pyrimidine
CID 72839890
N-[(3S*,4S*)-4-ethoxy-1-methyl-3-pyrrolidinyl]-2-ethyl-5-pyrimidinecarboxamide
CID 72932270

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (CID 72922340) is N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)N(CC2CCC2)CC2CCCO2)cn1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is QWBXEFAOMMTNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-18-17-19-9-14(10-20-17)16(22)21(11-13-5-3-6-13)12-15-7-4-8-23-15/h9-10,13,15H,2-8,11-12H2,1H3,(H,18,19,20).
What are the key properties of N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72922340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).