2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide

C20H26N4O2 — CID 72935493

IUPAC2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2OCc2ccccc2)cn1
InChIInChI=1S/C20H26N4O2/c1-2-21-20-22-12-16(13-23-20)19(25)24-17-10-6-7-11-18(17)26-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,17-18H,2,6-7,10-11,14H2,1H3,(H,24,25)(H,21,22,23)/t17-,18-/m1/s1
InChIKeyBIDACEQMCQLATG-QZTJIDSGSA-N
MW354.45 g/mol
LogP3.17
Rot. Bonds7

About 2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide (PubChem CID 72935493) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide
PubChem CID72935493
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2OCc2ccccc2)cn1
InChIInChI=1S/C20H26N4O2/c1-2-21-20-22-12-16(13-23-20)19(25)24-17-10-6-7-11-18(17)26-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,17-18H,2,6-7,10-11,14H2,1H3,(H,24,25)(H,21,22,23)/t17-,18-/m1/s1
InChIKeyBIDACEQMCQLATG-QZTJIDSGSA-N
XLogP3.17
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide (CID 72935493) is 2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2OCc2ccccc2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide?
The InChIKey is BIDACEQMCQLATG-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-21-20-22-12-16(13-23-20)19(25)24-17-10-6-7-11-18(17)26-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,17-18H,2,6-7,10-11,14H2,1H3,(H,24,25)(H,21,22,23)/t17-,18-/m1/s1.
What are the key properties of 2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72935493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).