N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine

C13H23N3O — CID 80950076

IUPACN-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(OC(C)C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-6-7-11-15-12(14-5)8-13(16-11)17-10(4)9(2)3/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyHSABMJOFLIEPMC-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.89
Rot. Bonds6

About N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine

N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine (PubChem CID 80950076) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine
PubChem CID80950076
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(OC(C)C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-6-7-11-15-12(14-5)8-13(16-11)17-10(4)9(2)3/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyHSABMJOFLIEPMC-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine
CID 80950560
6-(2-ethylbutoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 114208764
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine
CID 80950558
6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949615
6-(1-ethoxypropan-2-yloxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 103491671
2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942176
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine
CID 80950367
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine (CID 80950076) is N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(OC(C)C(C)C)n1.
What is the InChIKey of N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine?
The InChIKey is HSABMJOFLIEPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-7-11-15-12(14-5)8-13(16-11)17-10(4)9(2)3/h8-10H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine?
N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80950076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).