4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine

C12H16N4O2 — CID 114053032

IUPAC4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(NC(C)Cc2ccco2)nc(N)n1
InChIInChI=1S/C12H16N4O2/c1-8(6-9-4-3-5-18-9)14-10-7-11(17-2)16-12(13)15-10/h3-5,7-8H,6H2,1-2H3,(H3,13,14,15,16)
InChIKeyMSSZVZBWXCVLCZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.70
Rot. Bonds5

About 4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine

4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine (PubChem CID 114053032) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine
PubChem CID114053032
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(NC(C)Cc2ccco2)nc(N)n1
InChIInChI=1S/C12H16N4O2/c1-8(6-9-4-3-5-18-9)14-10-7-11(17-2)16-12(13)15-10/h3-5,7-8H,6H2,1-2H3,(H3,13,14,15,16)
InChIKeyMSSZVZBWXCVLCZ-UHFFFAOYSA-N
XLogP1.70
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564446
6-ethoxy-N-[1-(furan-2-yl)propan-2-yl]pyridin-2-amine
CID 55212585
N-[1-(furan-2-yl)propan-2-yl]-6-hydrazinylpyrazin-2-amine
CID 80896852
5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
CID 66278120
N-[1-(furan-2-yl)propan-2-yl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80896927
2-N-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine
CID 80803462
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
4-N-ethyl-6-(furan-2-ylmethoxy)pyrimidine-2,4-diamine
CID 80858205
5-bromo-N-[1-(furan-2-yl)propan-2-yl]-4-methylpyridin-2-amine
CID 115773907
N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325662
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241
2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one
CID 136974495

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine (CID 114053032) is 4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine is COc1cc(NC(C)Cc2ccco2)nc(N)n1.
What is the InChIKey of 4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine?
The InChIKey is MSSZVZBWXCVLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(6-9-4-3-5-18-9)14-10-7-11(17-2)16-12(13)15-10/h3-5,7-8H,6H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine?
4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine has a molecular weight of 248.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 114053032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).