2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C12H21N3O — CID 62190414

IUPAC2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(COC)n1
InChIInChI=1S/C12H21N3O/c1-5-6-13-11-7-10(9(2)3)14-12(15-11)8-16-4/h7,9H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyLYCOKIVULVOCKC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.57
Rot. Bonds6

About 2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 62190414) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID62190414
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(COC)n1
InChIInChI=1S/C12H21N3O/c1-5-6-13-11-7-10(9(2)3)14-12(15-11)8-16-4/h7,9H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyLYCOKIVULVOCKC-UHFFFAOYSA-N
XLogP2.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62716221
4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
CID 104830551
2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65138244
2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485245
2-[2-(2,2-difluoroethoxy)ethyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 103150314
2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485417
2-(methoxymethyl)-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433968
6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113401713
2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65140283
2-(methoxymethyl)-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838411

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 62190414) is 2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)C)nc(COC)n1.
What is the InChIKey of 2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is LYCOKIVULVOCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-6-13-11-7-10(9(2)3)14-12(15-11)8-16-4/h7,9H,5-6,8H2,1-4H3,(H,13,14,15).
What are the key properties of 2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62190414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).