2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide

C12H18N4O2 — CID 72896767

IUPAC2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC2CCOCC2)cn1
InChIInChI=1S/C12H18N4O2/c1-2-13-12-14-7-9(8-15-12)11(17)16-10-3-5-18-6-4-10/h7-8,10H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyNBJBSQQIXSIMKP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.82
Rot. Bonds4

About 2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide

2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide (PubChem CID 72896767) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide
PubChem CID72896767
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC2CCOCC2)cn1
InChIInChI=1S/C12H18N4O2/c1-2-13-12-14-7-9(8-15-12)11(17)16-10-3-5-18-6-4-10/h7-8,10H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyNBJBSQQIXSIMKP-UHFFFAOYSA-N
XLogP0.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxycyclohexyl)amino]-4-[[(3R)-oxan-3-yl]amino]pyrimidine-5-carboxamide
CID 71237338
4-(Tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237938
2-[(4-Methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71238006
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)pyrimidine-5-carboxamide
CID 72793257
2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488650
2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)-4-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 45489239
5-methyl-N-(oxan-4-yl)pyrimidin-2-amine
CID 63208024
N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 57382071
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 72548340
2,4-bis(butylamino)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
CID 72548581
(7S)-7-amino-N-(oxan-4-yl)-8-oxo-2,9,16,18,21-pentazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide
CID 118441536
5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-
CID 3042986

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide (CID 72896767) is 2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NC2CCOCC2)cn1.
What is the InChIKey of 2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide?
The InChIKey is NBJBSQQIXSIMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-13-12-14-7-9(8-15-12)11(17)16-10-3-5-18-6-4-10/h7-8,10H,2-6H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide?
2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(oxan-4-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72896767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).