N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine

C20H25N5O — CID 91022676

IUPACN,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine
SMILESCN(C)C1CCN(c2nccc(Oc3cccc4ccn(C)c34)n2)CC1
InChIInChI=1S/C20H25N5O/c1-23(2)16-9-13-25(14-10-16)20-21-11-7-18(22-20)26-17-6-4-5-15-8-12-24(3)19(15)17/h4-8,11-12,16H,9-10,13-14H2,1-3H3
InChIKeyWHVJPYKYHHCFGI-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.29
Rot. Bonds4

About N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine

N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine (PubChem CID 91022676) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine
PubChem CID91022676
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine
SMILESCN(C)C1CCN(c2nccc(Oc3cccc4ccn(C)c34)n2)CC1
InChIInChI=1S/C20H25N5O/c1-23(2)16-9-13-25(14-10-16)20-21-11-7-18(22-20)26-17-6-4-5-15-8-12-24(3)19(15)17/h4-8,11-12,16H,9-10,13-14H2,1-3H3
InChIKeyWHVJPYKYHHCFGI-UHFFFAOYSA-N
XLogP3.29
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine (CID 91022676) is N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine is CN(C)C1CCN(c2nccc(Oc3cccc4ccn(C)c34)n2)CC1.
What is the InChIKey of N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine?
The InChIKey is WHVJPYKYHHCFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-23(2)16-9-13-25(14-10-16)20-21-11-7-18(22-20)26-17-6-4-5-15-8-12-24(3)19(15)17/h4-8,11-12,16H,9-10,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine?
N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine has a molecular weight of 351.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(1-methylindol-7-yl)oxypyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 91022676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).