2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane

C24H28N6O2 — CID 143890446

IUPAC2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane
SMILESC.NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C23H24N6O2.CH4/c24-17-6-2-3-7-18(17)28-23-26-12-16(21(25)30)22(29-23)27-13-9-10-15-14-5-1-4-8-19(14)31-20(15)11-13;/h1,4-5,8-12,17-18H,2-3,6-7,24H2,(H2,25,30)(H2,26,27,28,29);1H4
InChIKeyXIUZVTJVVBNHSR-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.54
Rot. Bonds5

About 2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane

2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane (PubChem CID 143890446) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane
PubChem CID143890446
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane
SMILESC.NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C23H24N6O2.CH4/c24-17-6-2-3-7-18(17)28-23-26-12-16(21(25)30)22(29-23)27-13-9-10-15-14-5-1-4-8-19(14)31-20(15)11-13;/h1,4-5,8-12,17-18H,2-3,6-7,24H2,(H2,25,30)(H2,26,27,28,29);1H4
InChIKeyXIUZVTJVVBNHSR-UHFFFAOYSA-N
XLogP4.54
TPSA132.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-fluoronaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 57472000
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(oxan-4-yl)anilino]pyrimidine-5-carboxamide
CID 57471964
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(isoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 71577948
2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 57472084
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-methoxy-3-methylanilino)pyrimidine-5-carboxamide
CID 59199700
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(oxan-4-yl)anilino]pyrimidine-5-carboxamide
CID 57471966
2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide
CID 75165400
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(1,3-oxazol-4-yl)anilino]pyrimidine-5-carboxamide
CID 46184137
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(1,3-benzodioxol-5-yl)anilino]pyrimidine-5-carboxamide
CID 57472051
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(morpholin-4-ylmethyl)anilino]pyrimidine-5-carboxamide
CID 57471866
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(2-cyanoquinolin-6-yl)amino]pyrimidine-5-carboxamide
CID 57471946

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane?
The IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane (CID 143890446) is 2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane.
What is the SMILES notation for 2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane?
The canonical SMILES for 2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane is C.NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane?
The InChIKey is XIUZVTJVVBNHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2.CH4/c24-17-6-2-3-7-18(17)28-23-26-12-16(21(25)30)22(29-23)27-13-9-10-15-14-5-1-4-8-19(14)31-20(15)11-13;/h1,4-5,8-12,17-18H,2-3,6-7,24H2,(H2,25,30)(H2,26,27,28,29);1H4.
What are the key properties of 2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane?
2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane has a molecular weight of 432.53 g/mol, XLogP of 4.54, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane is sourced from PubChem (CID 143890446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).