2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine

C15H26N4O — CID 80657178

IUPAC2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN2CCOCC2(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-6-16-13-9-12(2)17-14(18-13)10-19-7-8-20-11-15(19,3)4/h9H,5-8,10-11H2,1-4H3,(H,16,17,18)
InChIKeyDXAICMIGNWMPGC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds5

About 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine

2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 80657178) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
PubChem CID80657178
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN2CCOCC2(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-6-16-13-9-12(2)17-14(18-13)10-19-7-8-20-11-15(19,3)4/h9H,5-8,10-11H2,1-4H3,(H,16,17,18)
InChIKeyDXAICMIGNWMPGC-UHFFFAOYSA-N
XLogP2.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657269
4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine
CID 80663995
6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine
CID 79242954
3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one
CID 80657652
6-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 80657743
6-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80796158
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
CID 80657990
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657242
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
CID 80654333
1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]azocan-2-one
CID 80663824

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine (CID 80657178) is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(CN2CCOCC2(C)C)n1.
What is the InChIKey of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is DXAICMIGNWMPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-6-16-13-9-12(2)17-14(18-13)10-19-7-8-20-11-15(19,3)4/h9H,5-8,10-11H2,1-4H3,(H,16,17,18).
What are the key properties of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80657178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).