N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine

C12H15N3O3 — CID 172904275

IUPACN-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC(OC)c2ccco2)n1
InChIInChI=1S/C12H15N3O3/c1-16-10(9-4-3-7-18-9)8-14-12-13-6-5-11(15-12)17-2/h3-7,10H,8H2,1-2H3,(H,13,14,15)
InChIKeyYXJGHCBCCSYKEG-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.88
Rot. Bonds6

About N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine

N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine (PubChem CID 172904275) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine
PubChem CID172904275
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC(OC)c2ccco2)n1
InChIInChI=1S/C12H15N3O3/c1-16-10(9-4-3-7-18-9)8-14-12-13-6-5-11(15-12)17-2/h3-7,10H,8H2,1-2H3,(H,13,14,15)
InChIKeyYXJGHCBCCSYKEG-UHFFFAOYSA-N
XLogP1.88
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine
CID 131951741
N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 65036818
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 66089762
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine
CID 56684317
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
CID 133289929
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
4-methoxy-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine
CID 104577405
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol
CID 133375715

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine (CID 172904275) is N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCC(OC)c2ccco2)n1.
What is the InChIKey of N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine?
The InChIKey is YXJGHCBCCSYKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-16-10(9-4-3-7-18-9)8-14-12-13-6-5-11(15-12)17-2/h3-7,10H,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine?
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine has a molecular weight of 249.27 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 172904275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).