2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine

C24H28N10O2 — CID 42645048

IUPAC2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)n1)c1cccc2[nH]ncc12
InChIInChI=1S/C24H28N10O2/c1-32(19-4-2-3-18-17(19)16-26-31-18)21-5-6-25-23(29-21)27-20-15-22(33-7-11-35-12-8-33)30-24(28-20)34-9-13-36-14-10-34/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,25,27,28,29,30)
InChIKeyOPYVRUCHUOTLBL-UHFFFAOYSA-N
MW488.56 g/mol
LogP2.33
Rot. Bonds6

About 2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine

2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 42645048) has the molecular formula C24H28N10O2 and a molecular weight of 488.56 g/mol. Its IUPAC name is 2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID42645048
Molecular FormulaC24H28N10O2
Molecular Weight488.56 g/mol
Exact Mass488.24
IUPAC Name2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)n1)c1cccc2[nH]ncc12
InChIInChI=1S/C24H28N10O2/c1-32(19-4-2-3-18-17(19)16-26-31-18)21-5-6-25-23(29-21)27-20-15-22(33-7-11-35-12-8-33)30-24(28-20)34-9-13-36-14-10-34/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,25,27,28,29,30)
InChIKeyOPYVRUCHUOTLBL-UHFFFAOYSA-N
XLogP2.33
TPSA120.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine (CID 42645048) is 2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine is CN(c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)n1)c1cccc2[nH]ncc12.
What is the InChIKey of 2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is OPYVRUCHUOTLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N10O2/c1-32(19-4-2-3-18-17(19)16-26-31-18)21-5-6-25-23(29-21)27-20-15-22(33-7-11-35-12-8-33)30-24(28-20)34-9-13-36-14-10-34/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,25,27,28,29,30).
What are the key properties of 2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine?
2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 488.56 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 42645048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).