2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide

C16H18N8OS — CID 59199697

IUPAC2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide
SMILESC[C@H](N)CNc1ncc(C(N)=O)c(Nc2ccc(-c3csnn3)cc2)n1
InChIInChI=1S/C16H18N8OS/c1-9(17)6-19-16-20-7-12(14(18)25)15(22-16)21-11-4-2-10(3-5-11)13-8-26-24-23-13/h2-5,7-9H,6,17H2,1H3,(H2,18,25)(H2,19,20,21,22)/t9-/m0/s1
InChIKeyCTDKIGSNDCBCML-VIFPVBQESA-N
MW370.44 g/mol
LogP1.60
Rot. Bonds7

About 2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide

2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 59199697) has the molecular formula C16H18N8OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide
PubChem CID59199697
Molecular FormulaC16H18N8OS
Molecular Weight370.44 g/mol
Exact Mass370.13
IUPAC Name2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide
SMILESC[C@H](N)CNc1ncc(C(N)=O)c(Nc2ccc(-c3csnn3)cc2)n1
InChIInChI=1S/C16H18N8OS/c1-9(17)6-19-16-20-7-12(14(18)25)15(22-16)21-11-4-2-10(3-5-11)13-8-26-24-23-13/h2-5,7-9H,6,17H2,1H3,(H2,18,25)(H2,19,20,21,22)/t9-/m0/s1
InChIKeyCTDKIGSNDCBCML-VIFPVBQESA-N
XLogP1.60
TPSA144.73 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
2-[[(2R)-1-carbamoyl-2-propan-2-ylcyclopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide
CID 143890345
2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide
CID 67002750
2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 59199550
2-(2-aminopropylamino)-4-(cyclohexylamino)pyrimidine-5-carboxamide
CID 70981953
2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 143890450
2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 67002566
2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
CID 22958832
2-[(2-amino-3-methoxypropyl)amino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 67002016
2-[(2-amino-3-methoxypropyl)amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide
CID 67289468
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[4-(1,3-oxazol-5-yl)anilino]pyrimidine-5-carboxamide
CID 46186160
3-(tert-butylamino)-4-[[5-fluoro-2-[4-(thiadiazol-4-yl)anilino]pyrimidin-4-yl]amino]cyclobut-3-ene-1,2-dione
CID 87312134

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide (CID 59199697) is 2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide is C[C@H](N)CNc1ncc(C(N)=O)c(Nc2ccc(-c3csnn3)cc2)n1.
What is the InChIKey of 2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is CTDKIGSNDCBCML-VIFPVBQESA-N. The full InChI is InChI=1S/C16H18N8OS/c1-9(17)6-19-16-20-7-12(14(18)25)15(22-16)21-11-4-2-10(3-5-11)13-8-26-24-23-13/h2-5,7-9H,6,17H2,1H3,(H2,18,25)(H2,19,20,21,22)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide?
2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 370.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropyl]amino]-4-[4-(thiadiazol-4-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 59199697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).