2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide

C16H16N8O2 — CID 152790325

IUPAC2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2(C(N)=O)CC2)nc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H16N8O2/c17-12(25)10-7-19-15(23-16(3-4-16)14(18)26)22-13(10)21-9-2-1-8-6-20-24-11(8)5-9/h1-2,5-7H,3-4H2,(H2,17,25)(H2,18,26)(H,20,24)(H2,19,21,22,23)
InChIKeySHFIKMFVMSGOCY-UHFFFAOYSA-N
MW352.36 g/mol
LogP0.63
Rot. Bonds6

About 2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide

2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide (PubChem CID 152790325) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide
PubChem CID152790325
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2(C(N)=O)CC2)nc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H16N8O2/c17-12(25)10-7-19-15(23-16(3-4-16)14(18)26)22-13(10)21-9-2-1-8-6-20-24-11(8)5-9/h1-2,5-7H,3-4H2,(H2,17,25)(H2,18,26)(H,20,24)(H2,19,21,22,23)
InChIKeySHFIKMFVMSGOCY-UHFFFAOYSA-N
XLogP0.63
TPSA164.70 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 50.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

amino 4-aminooxy-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxylate
CID 148771208
[4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 505770
N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 505746
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
1-amino-N-(1H-indazol-6-yl)cyclohexane-1-carboxamide
CID 43710790
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-fluoronaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 57472000
4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
CID 67277592
methyl 3-hydroxy-2-[[4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carbonyl]amino]butanoate
CID 10180144
N-[2-[[5-bromo-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 21081267
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-2-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
CID 11523723
4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide (CID 152790325) is 2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2(C(N)=O)CC2)nc1Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide?
The InChIKey is SHFIKMFVMSGOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2/c17-12(25)10-7-19-15(23-16(3-4-16)14(18)26)22-13(10)21-9-2-1-8-6-20-24-11(8)5-9/h1-2,5-7H,3-4H2,(H2,17,25)(H2,18,26)(H,20,24)(H2,19,21,22,23).
What are the key properties of 2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide?
2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-carbamoylcyclopropyl)amino]-4-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 152790325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).