2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide

C19H25N7O2 — CID 59199675

IUPAC2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCOC[C@H](N)CNc1ncc(C(N)=O)c(Nc2cccc3[nH]c(C)cc23)n1
InChIInChI=1S/C19H25N7O2/c1-3-28-10-12(20)8-22-19-23-9-14(17(21)27)18(26-19)25-16-6-4-5-15-13(16)7-11(2)24-15/h4-7,9,12,24H,3,8,10,20H2,1-2H3,(H2,21,27)(H2,22,23,25,26)/t12-/m1/s1
InChIKeyBOJDXBNCSKTVAV-GFCCVEGCSA-N
MW383.46 g/mol
LogP1.88
Rot. Bonds9

About 2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide

2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 59199675) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID59199675
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCOC[C@H](N)CNc1ncc(C(N)=O)c(Nc2cccc3[nH]c(C)cc23)n1
InChIInChI=1S/C19H25N7O2/c1-3-28-10-12(20)8-22-19-23-9-14(17(21)27)18(26-19)25-16-6-4-5-15-13(16)7-11(2)24-15/h4-7,9,12,24H,3,8,10,20H2,1-2H3,(H2,21,27)(H2,22,23,25,26)/t12-/m1/s1
InChIKeyBOJDXBNCSKTVAV-GFCCVEGCSA-N
XLogP1.88
TPSA143.97 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

Quisinostat
CID 11538455
5-{[(2s)-2-Aminopropyl]amino}-3-(1h-Indol-2-Yl)pyrazine-2-Carboxamide
CID 118368188
2-((4,6-Dimethylpyridin-2-yl)amino)-N-(2-(2-methyl-1H-indol-3-yl)ethyl)pyrimidine-5-carboxamide
CID 145996528
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(1H-indol-4-ylamino)-1,2,4-triazine-6-carboxamide
CID 72202738
7-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(1H-indol-4-ylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136056544
8-fluoro-N-(3-propan-2-yloxypropyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 664895
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-8-[(2-methylindazol-4-yl)amino]-2H-2,7-naphthyridin-1-one
CID 90656285
7-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136056548
1-(butylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582564
8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582701
N2-(3,5-dimorpholinophenyl)-N4-(1H-indol-4-yl)pyrimidine-2,4-diamine
CID 52946955
3-(tert-butylamino)-4-[[2-(9H-carbazol-2-ylamino)pyrimidin-4-yl]amino]cyclobut-3-ene-1,2-dione
CID 71459560

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide (CID 59199675) is 2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide is CCOC[C@H](N)CNc1ncc(C(N)=O)c(Nc2cccc3[nH]c(C)cc23)n1.
What is the InChIKey of 2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is BOJDXBNCSKTVAV-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-3-28-10-12(20)8-22-19-23-9-14(17(21)27)18(26-19)25-16-6-4-5-15-13(16)7-11(2)24-15/h4-7,9,12,24H,3,8,10,20H2,1-2H3,(H2,21,27)(H2,22,23,25,26)/t12-/m1/s1.
What are the key properties of 2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide?
2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 1.88, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3-ethoxypropyl]amino]-4-[(2-methyl-1H-indol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 59199675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).