4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide

C19H33N5O2 — CID 71237177

IUPAC4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCCOC1CCC(Nc2ncc(C(N)=O)c(N[C@H](C)C(C)(C)C)n2)CC1
InChIInChI=1S/C19H33N5O2/c1-6-26-14-9-7-13(8-10-14)23-18-21-11-15(16(20)25)17(24-18)22-12(2)19(3,4)5/h11-14H,6-10H2,1-5H3,(H2,20,25)(H2,21,22,23,24)/t12-,13?,14?/m1/s1
InChIKeyBGEZZBLLXNNYPZ-IYXRBSQSSA-N
MW363.51 g/mol
LogP3.18
Rot. Bonds7

About 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide

4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 71237177) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID71237177
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCCOC1CCC(Nc2ncc(C(N)=O)c(N[C@H](C)C(C)(C)C)n2)CC1
InChIInChI=1S/C19H33N5O2/c1-6-26-14-9-7-13(8-10-14)23-18-21-11-15(16(20)25)17(24-18)22-12(2)19(3,4)5/h11-14H,6-10H2,1-5H3,(H2,20,25)(H2,21,22,23,24)/t12-,13?,14?/m1/s1
InChIKeyBGEZZBLLXNNYPZ-IYXRBSQSSA-N
XLogP3.18
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237178
2-[(4-methoxycyclohexyl)amino]-4-[[(2S)-3-methylbutan-2-yl]amino]pyrimidine-5-carboxamide
CID 71237470
4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71236629
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
4-(3,3-dimethylbutan-2-ylamino)-2-(methylamino)pyrimidine-5-carboxamide
CID 58008559
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271
2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide
CID 71237764
2-[(4-ethoxycyclohexyl)amino]-4-[(3-methyl-1-bicyclo[1.1.1]pentanyl)amino]pyrimidine-5-carboxamide
CID 71237568
4-[[(1R)-1-cyclobutylethyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237417
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237412
2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
CID 71238055
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 71237177) is 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide is CCOC1CCC(Nc2ncc(C(N)=O)c(N[C@H](C)C(C)(C)C)n2)CC1.
What is the InChIKey of 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is BGEZZBLLXNNYPZ-IYXRBSQSSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-6-26-14-9-7-13(8-10-14)23-18-21-11-15(16(20)25)17(24-18)22-12(2)19(3,4)5/h11-14H,6-10H2,1-5H3,(H2,20,25)(H2,21,22,23,24)/t12-,13?,14?/m1/s1.
What are the key properties of 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).