4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine

C25H28N6O — CID 127249190

IUPAC4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccc(C3CN(Cc4cn(C)c5ccccc45)CCO3)nc2)n1
InChIInChI=1S/C25H28N6O/c1-17-12-18(2)28-25(27-17)29-20-8-9-22(26-13-20)24-16-31(10-11-32-24)15-19-14-30(3)23-7-5-4-6-21(19)23/h4-9,12-14,24H,10-11,15-16H2,1-3H3,(H,27,28,29)
InChIKeyGNMJZITUGZNBFD-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.30
Rot. Bonds5

About 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine

4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 127249190) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
PubChem CID127249190
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccc(C3CN(Cc4cn(C)c5ccccc45)CCO3)nc2)n1
InChIInChI=1S/C25H28N6O/c1-17-12-18(2)28-25(27-17)29-20-8-9-22(26-13-20)24-16-31(10-11-32-24)15-19-14-30(3)23-7-5-4-6-21(19)23/h4-9,12-14,24H,10-11,15-16H2,1-3H3,(H,27,28,29)
InChIKeyGNMJZITUGZNBFD-UHFFFAOYSA-N
XLogP4.30
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine (CID 127249190) is 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2ccc(C3CN(Cc4cn(C)c5ccccc45)CCO3)nc2)n1.
What is the InChIKey of 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is GNMJZITUGZNBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-17-12-18(2)28-25(27-17)29-20-8-9-22(26-13-20)24-16-31(10-11-32-24)15-19-14-30(3)23-7-5-4-6-21(19)23/h4-9,12-14,24H,10-11,15-16H2,1-3H3,(H,27,28,29).
What are the key properties of 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 428.54 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 127249190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).