4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine

C14H24N6O — CID 118738419

IUPAC4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
SMILESCN1CCCN(c2ncnc(N3CCOCC3)c2N)CC1
InChIInChI=1S/C14H24N6O/c1-18-3-2-4-19(6-5-18)13-12(15)14(17-11-16-13)20-7-9-21-10-8-20/h11H,2-10,15H2,1H3
InChIKeyAZXUZSPYKZPJDS-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.04
Rot. Bonds2

About 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine

4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine (PubChem CID 118738419) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
PubChem CID118738419
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
SMILESCN1CCCN(c2ncnc(N3CCOCC3)c2N)CC1
InChIInChI=1S/C14H24N6O/c1-18-3-2-4-19(6-5-18)13-12(15)14(17-11-16-13)20-7-9-21-10-8-20/h11H,2-10,15H2,1H3
InChIKeyAZXUZSPYKZPJDS-UHFFFAOYSA-N
XLogP0.04
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine?
The IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine (CID 118738419) is 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine?
The canonical SMILES for 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine is CN1CCCN(c2ncnc(N3CCOCC3)c2N)CC1.
What is the InChIKey of 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine?
The InChIKey is AZXUZSPYKZPJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-18-3-2-4-19(6-5-18)13-12(15)14(17-11-16-13)20-7-9-21-10-8-20/h11H,2-10,15H2,1H3.
What are the key properties of 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine?
4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine has a molecular weight of 292.39 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine is sourced from PubChem (CID 118738419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).