N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine

C12H18N6O — CID 114691125

IUPACN-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine
SMILESCCCn1nncc1-c1ncnc(NCC)c1OC
InChIInChI=1S/C12H18N6O/c1-4-6-18-9(7-16-17-18)10-11(19-3)12(13-5-2)15-8-14-10/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyJYOXILSJLHRTJS-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.59
Rot. Bonds6

About N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine

N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine (PubChem CID 114691125) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine
PubChem CID114691125
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine
SMILESCCCn1nncc1-c1ncnc(NCC)c1OC
InChIInChI=1S/C12H18N6O/c1-4-6-18-9(7-16-17-18)10-11(19-3)12(13-5-2)15-8-14-10/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyJYOXILSJLHRTJS-UHFFFAOYSA-N
XLogP1.59
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-nitro-6-(3-propyltriazol-4-yl)pyrimidin-4-amine
CID 114691192
N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine
CID 114691130
6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine
CID 113324652
N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine
CID 114690973
5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
CID 114691054
6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine
CID 106463748
N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine
CID 104739182
N-ethyl-5-methoxy-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116794457
2-(3-propyltriazol-4-yl)pyridin-3-ol
CID 136993168
5-ethyl-N-methyl-6-(3-methyltriazol-4-yl)pyrimidin-4-amine
CID 114690953
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 114094101
N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide
CID 114235128

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine (CID 114691125) is N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine is CCCn1nncc1-c1ncnc(NCC)c1OC.
What is the InChIKey of N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine?
The InChIKey is JYOXILSJLHRTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-6-18-9(7-16-17-18)10-11(19-3)12(13-5-2)15-8-14-10/h7-8H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine?
N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine has a molecular weight of 262.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 114691125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).