5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine

C16H28N4O — CID 80985429

IUPAC5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CCC)nc(NCC2CCOC2)c1C
InChIInChI=1S/C16H28N4O/c1-4-6-14-19-15(17-8-5-2)12(3)16(20-14)18-10-13-7-9-21-11-13/h13H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyULHHOQMADSTHRL-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.01
Rot. Bonds8

About 5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine

5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine (PubChem CID 80985429) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine
PubChem CID80985429
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CCC)nc(NCC2CCOC2)c1C
InChIInChI=1S/C16H28N4O/c1-4-6-14-19-15(17-8-5-2)12(3)16(20-14)18-10-13-7-9-21-11-13/h13H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyULHHOQMADSTHRL-UHFFFAOYSA-N
XLogP3.01
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80983011
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955245
4-N-cyclobutyl-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80982309
6-chloro-N-(oxolan-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938193
4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80992927
2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80873297
N-(cyclohexylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995285
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984091
6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80987106
4-[[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138586

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine (CID 80985429) is 5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine is CCCNc1nc(CCC)nc(NCC2CCOC2)c1C.
What is the InChIKey of 5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The InChIKey is ULHHOQMADSTHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-6-14-19-15(17-8-5-2)12(3)16(20-14)18-10-13-7-9-21-11-13/h13H,4-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(oxolan-3-ylmethyl)-6-N,2-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).