N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine

C16H24N6O — CID 50952043

IUPACN-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCN(CCCc1cnn(C)c1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C16H24N6O/c1-20(5-3-4-14-11-19-21(2)12-14)15-10-16(18-13-17-15)22-6-8-23-9-7-22/h10-13H,3-9H2,1-2H3
InChIKeySOKGJTKSNHLYDJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.12
Rot. Bonds6

About N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine

N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 50952043) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID50952043
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCN(CCCc1cnn(C)c1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C16H24N6O/c1-20(5-3-4-14-11-19-21(2)12-14)15-10-16(18-13-17-15)22-6-8-23-9-7-22/h10-13H,3-9H2,1-2H3
InChIKeySOKGJTKSNHLYDJ-UHFFFAOYSA-N
XLogP1.12
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 50952043) is N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine is CN(CCCc1cnn(C)c1)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is SOKGJTKSNHLYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-20(5-3-4-14-11-19-21(2)12-14)15-10-16(18-13-17-15)22-6-8-23-9-7-22/h10-13H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine?
N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 50952043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).