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

C19H33N5O2 — CID 71237178

IUPAC4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCCOC1CCC(Nc2ncc(C(N)=O)c(NC(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)
InChIKeyBGEZZBLLXNNYPZ-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.18
Rot. Bonds7

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

4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 71237178) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID71237178
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCCOC1CCC(Nc2ncc(C(N)=O)c(NC(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)
InChIKeyBGEZZBLLXNNYPZ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 71237178) is 4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide is CCOC1CCC(Nc2ncc(C(N)=O)c(NC(C)C(C)(C)C)n2)CC1.
What is the InChIKey of 4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is BGEZZBLLXNNYPZ-UHFFFAOYSA-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).
What are the key properties of 4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-(3,3-dimethylbutan-2-ylamino)-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-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).