2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide

C18H28N4O3 — CID 173027050

IUPAC2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide
SMILESCCOc1nc(NC2CC2)ncc1C(=O)N[C@@H]1CCCC[C@H](O)CC1
InChIInChI=1S/C18H28N4O3/c1-2-25-17-15(11-19-18(22-17)21-13-7-8-13)16(24)20-12-5-3-4-6-14(23)10-9-12/h11-14,23H,2-10H2,1H3,(H,20,24)(H,19,21,22)/t12-,14+/m1/s1
InChIKeyGQJIYVCFABXAMJ-OCCSQVGLSA-N
MW348.45 g/mol
LogP2.26
Rot. Bonds6

About 2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide

2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide (PubChem CID 173027050) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide
PubChem CID173027050
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide
SMILESCCOc1nc(NC2CC2)ncc1C(=O)N[C@@H]1CCCC[C@H](O)CC1
InChIInChI=1S/C18H28N4O3/c1-2-25-17-15(11-19-18(22-17)21-13-7-8-13)16(24)20-12-5-3-4-6-14(23)10-9-12/h11-14,23H,2-10H2,1H3,(H,20,24)(H,19,21,22)/t12-,14+/m1/s1
InChIKeyGQJIYVCFABXAMJ-OCCSQVGLSA-N
XLogP2.26
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclobutylamino)-N-[(1R,4S)-4-hydroxycyclooctyl]-4-propan-2-yloxypyrimidine-5-carboxamide;methane
CID 173131933
ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 102972606
ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
CID 25020838
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850
N-(1-acetylpiperidin-4-yl)-2-[(4-hydroxycyclohexyl)amino]quinazoline-8-carboxamide
CID 58082546
2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
CID 71238055
2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide
CID 58082154
4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 148807012
4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71244293
2-[(4-hydroxycyclohexyl)amino]-4-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 71237270
2-(butylamino)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-4-[(4-hydroxycyclohexyl)methylamino]pyrimidine-5-carboxamide
CID 123879476

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide (CID 173027050) is 2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide is CCOc1nc(NC2CC2)ncc1C(=O)N[C@@H]1CCCC[C@H](O)CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide?
The InChIKey is GQJIYVCFABXAMJ-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-25-17-15(11-19-18(22-17)21-13-7-8-13)16(24)20-12-5-3-4-6-14(23)10-9-12/h11-14,23H,2-10H2,1H3,(H,20,24)(H,19,21,22)/t12-,14+/m1/s1.
What are the key properties of 2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide?
2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 173027050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).