2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide

C20H22N8O2S — CID 143890345

IUPAC2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide
SMILESCC(C)[C@H]1CC1(Nc1ncc(C(N)=O)c(Nc2ccc(-c3csnn3)cc2)n1)C(N)=O
InChIInChI=1S/C20H22N8O2S/c1-10(2)14-7-20(14,18(22)30)26-19-23-8-13(16(21)29)17(25-19)24-12-5-3-11(4-6-12)15-9-31-28-27-15/h3-6,8-10,14H,7H2,1-2H3,(H2,21,29)(H2,22,30)(H2,23,24,25,26)/t14-,20?/m1/s1
InChIKeyBRZVZRJJJQQKRJ-QMRFKDRMSA-N
MW438.52 g/mol
LogP2.15
Rot. Bonds8

About 2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide

2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 143890345) has the molecular formula C20H22N8O2S and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide
PubChem CID143890345
Molecular FormulaC20H22N8O2S
Molecular Weight438.52 g/mol
Exact Mass438.16
IUPAC Name2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide
SMILESCC(C)[C@H]1CC1(Nc1ncc(C(N)=O)c(Nc2ccc(-c3csnn3)cc2)n1)C(N)=O
InChIInChI=1S/C20H22N8O2S/c1-10(2)14-7-20(14,18(22)30)26-19-23-8-13(16(21)29)17(25-19)24-12-5-3-11(4-6-12)15-9-31-28-27-15/h3-6,8-10,14H,7H2,1-2H3,(H2,21,29)(H2,22,30)(H2,23,24,25,26)/t14-,20?/m1/s1
InChIKeyBRZVZRJJJQQKRJ-QMRFKDRMSA-N
XLogP2.15
TPSA161.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide
CID 59199697
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[4-(1,3-oxazol-5-yl)anilino]pyrimidine-5-carboxamide
CID 46186160
propan-2-yl N-[4-[[5-carbamoyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]-N-methylcarbamate
CID 58014926
2-[(1-amino-1-oxopropan-2-yl)amino]-4-[4-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 57480301
2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide
CID 152790325
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 46185385
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
2-[4-[(3-amino-3-oxopropyl)-methylamino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 66792045
4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 58014750
3-(tert-butylamino)-4-[[5-fluoro-2-[4-(thiadiazol-4-yl)anilino]pyrimidin-4-yl]amino]cyclobut-3-ene-1,2-dione
CID 87312134
4-(cyclopropylamino)-2-[4-[methyl(propanoyl)amino]anilino]pyrimidine-5-carboxamide
CID 58014826

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide (CID 143890345) is 2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide is CC(C)[C@H]1CC1(Nc1ncc(C(N)=O)c(Nc2ccc(-c3csnn3)cc2)n1)C(N)=O.
What is the InChIKey of 2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is BRZVZRJJJQQKRJ-QMRFKDRMSA-N. The full InChI is InChI=1S/C20H22N8O2S/c1-10(2)14-7-20(14,18(22)30)26-19-23-8-13(16(21)29)17(25-19)24-12-5-3-11(4-6-12)15-9-31-28-27-15/h3-6,8-10,14H,7H2,1-2H3,(H2,21,29)(H2,22,30)(H2,23,24,25,26)/t14-,20?/m1/s1.
What are the key properties of 2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide?
2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 2.15, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 143890345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).