2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine

C13H24N4O — CID 113401338

IUPAC2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(c1cc(NC)nc(COC)n1)C(C)C
InChIInChI=1S/C13H24N4O/c1-6-7-17(10(2)3)13-8-11(14-4)15-12(16-13)9-18-5/h8,10H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyUWRCGRHJPHKGFH-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.29
Rot. Bonds7

About 2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine

2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 113401338) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
PubChem CID113401338
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(c1cc(NC)nc(COC)n1)C(C)C
InChIInChI=1S/C13H24N4O/c1-6-7-17(10(2)3)13-8-11(14-4)15-12(16-13)9-18-5/h8,10H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyUWRCGRHJPHKGFH-UHFFFAOYSA-N
XLogP2.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80774664
6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine
CID 80775715
2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 113401382
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942440
4-N-butan-2-yl-2-ethyl-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80935470
2-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyrimidin-4-amine
CID 82965305
2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191609
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80955285
4-N-(1-cyclopropylethyl)-2-ethyl-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80934874
2-ethyl-4-N-(2-methoxyethyl)-6-N-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80935014
6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
6-N-methyl-4-N,4-N,2-tripropylpyrimidine-4,6-diamine
CID 80946205

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine (CID 113401338) is 2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine is CCCN(c1cc(NC)nc(COC)n1)C(C)C.
What is the InChIKey of 2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is UWRCGRHJPHKGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-7-17(10(2)3)13-8-11(14-4)15-12(16-13)9-18-5/h8,10H,6-7,9H2,1-5H3,(H,14,15,16).
What are the key properties of 2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 113401338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).