N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide

C17H26N4O2 — CID 97147899

IUPACN-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(CC2CCC2)C[C@@H]2CCCO2)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)/t15-/m0/s1
InChIKeyQWBXEFAOMMTNAB-HNNXBMFYSA-N
MW318.42 g/mol
LogP2.33
Rot. Bonds7

About N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide

N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 97147899) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
PubChem CID97147899
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(CC2CCC2)C[C@@H]2CCCO2)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)/t15-/m0/s1
InChIKeyQWBXEFAOMMTNAB-HNNXBMFYSA-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

Analyze N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74234326
N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425817
N-ethyl-5-(ethylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374808
5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179962
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
N-(cyclobutylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125168586
N-(cyclobutylmethyl)-4-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137334645
N-ethyl-4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179440
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
N-(cyclobutylmethyl)-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 50974846
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 97268592

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide (CID 97147899) is N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)N(CC2CCC2)C[C@@H]2CCCO2)cn1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is QWBXEFAOMMTNAB-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide?
N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]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-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 97147899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).