2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C16H26N4O2 — CID 74248400

IUPAC2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnc(C2CC2)[nH]c1=O)C(C)C
InChIInChI=1S/C16H26N4O2/c1-10(2)20(11(3)4)8-7-17-15(21)13-9-18-14(12-5-6-12)19-16(13)22/h9-12H,5-8H2,1-4H3,(H,17,21)(H,18,19,22)
InChIKeyYOLOJCNZYNFKKM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.50
Rot. Bonds7

About 2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 74248400) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID74248400
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnc(C2CC2)[nH]c1=O)C(C)C
InChIInChI=1S/C16H26N4O2/c1-10(2)20(11(3)4)8-7-17-15(21)13-9-18-14(12-5-6-12)19-16(13)22/h9-12H,5-8H2,1-4H3,(H,17,21)(H,18,19,22)
InChIKeyYOLOJCNZYNFKKM-UHFFFAOYSA-N
XLogP1.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-isopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine-5-carboxamide
CID 74232881
5-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-2-isopropyl-4(3H)-pyrimidinone
CID 56874033
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
(2S)-N-(cyclopropylmethyl)-6-ethynyl-5-oxo-2-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide
CID 9972015
N-[(1-isobutylpyrrolidin-3-yl)methyl]-2-isopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 56710372
N-[rel-(1R,3R)-3-aminocyclopentyl]-2-isopropyl-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 56749058
2-cyclopropyl-5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-4(3H)-pyrimidinone
CID 70777499
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
N~2~-[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-isoleucinamide
CID 74242020
2-cyclopropyl-N-{1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74248649
2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82510391
2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82510676

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 74248400) is 2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is CC(C)N(CCNC(=O)c1cnc(C2CC2)[nH]c1=O)C(C)C.
What is the InChIKey of 2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YOLOJCNZYNFKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-10(2)20(11(3)4)8-7-17-15(21)13-9-18-14(12-5-6-12)19-16(13)22/h9-12H,5-8H2,1-4H3,(H,17,21)(H,18,19,22).
What are the key properties of 2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 74248400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).