4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine

C21H29N7O2 — CID 58504789

IUPAC4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCCOc1cc(-c2cc(N3CCOC[C@H]3C(C)C)nc(NC)n2)cc2[nH]nc(N)c12
InChIInChI=1S/C21H29N7O2/c1-5-30-17-9-13(8-15-19(17)20(22)27-26-15)14-10-18(25-21(23-4)24-14)28-6-7-29-11-16(28)12(2)3/h8-10,12,16H,5-7,11H2,1-4H3,(H3,22,26,27)(H,23,24,25)/t16-/m0/s1
InChIKeyIMUXOEGPWKEOEP-INIZCTEOSA-N
MW411.51 g/mol
LogP2.90
Rot. Bonds6

About 4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine

4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 58504789) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID58504789
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCCOc1cc(-c2cc(N3CCOC[C@H]3C(C)C)nc(NC)n2)cc2[nH]nc(N)c12
InChIInChI=1S/C21H29N7O2/c1-5-30-17-9-13(8-15-19(17)20(22)27-26-15)14-10-18(25-21(23-4)24-14)28-6-7-29-11-16(28)12(2)3/h8-10,12,16H,5-7,11H2,1-4H3,(H3,22,26,27)(H,23,24,25)/t16-/m0/s1
InChIKeyIMUXOEGPWKEOEP-INIZCTEOSA-N
XLogP2.90
TPSA114.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine
CID 58504676
6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine
CID 75150958
6-[2-(methylamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methylsulfanyl-1H-indazol-3-amine
CID 58504699
4-methoxy-6-[2-(methylamino)-6-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 46215124
6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine
CID 70886740
tert-butyl N-[(3R)-1-[6-(3-amino-4-methoxy-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 58504563
4-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-2,6-difluorobenzonitrile
CID 58504475
2-ethoxy-6-fluoro-4-[2-(methylamino)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]benzonitrile
CID 76807029
4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 76806771
4-methyl-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]ethoxy]-1H-indazol-3-amine
CID 126716700
(2S)-4-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-benzyl-5-methylmorpholine-2-carboxamide
CID 118273263
4-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-benzyl-5-methylmorpholine-2-carboxamide
CID 90848853

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 58504789) is 4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine is CCOc1cc(-c2cc(N3CCOC[C@H]3C(C)C)nc(NC)n2)cc2[nH]nc(N)c12.
What is the InChIKey of 4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is IMUXOEGPWKEOEP-INIZCTEOSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-5-30-17-9-13(8-15-19(17)20(22)27-26-15)14-10-18(25-21(23-4)24-14)28-6-7-29-11-16(28)12(2)3/h8-10,12,16H,5-7,11H2,1-4H3,(H3,22,26,27)(H,23,24,25)/t16-/m0/s1.
What are the key properties of 4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 411.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[2-(methylamino)-6-[(3R)-3-propan-2-ylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 58504789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).