N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide

C16H29N3O — CID 173174752

IUPACN-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(N2CCCN=C2C(C)C)CC1
InChIInChI=1S/C16H29N3O/c1-4-17-16(20)13-6-8-14(9-7-13)19-11-5-10-18-15(19)12(2)3/h12-14H,4-11H2,1-3H3,(H,17,20)
InChIKeyIERDLFWIPTVKIN-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.44
Rot. Bonds4

About N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide

N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide (PubChem CID 173174752) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
PubChem CID173174752
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(N2CCCN=C2C(C)C)CC1
InChIInChI=1S/C16H29N3O/c1-4-17-16(20)13-6-8-14(9-7-13)19-11-5-10-18-15(19)12(2)3/h12-14H,4-11H2,1-3H3,(H,17,20)
InChIKeyIERDLFWIPTVKIN-UHFFFAOYSA-N
XLogP2.44
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide (CID 173174752) is N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide is CCNC(=O)C1CCC(N2CCCN=C2C(C)C)CC1.
What is the InChIKey of N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is IERDLFWIPTVKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-17-16(20)13-6-8-14(9-7-13)19-11-5-10-18-15(19)12(2)3/h12-14H,4-11H2,1-3H3,(H,17,20).
What are the key properties of N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 173174752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).