6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine

C12H16N4O — CID 112724390

IUPAC6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(NC(C)c2ccc(C)o2)nc(N)n1
InChIInChI=1S/C12H16N4O/c1-7-6-11(16-12(13)14-7)15-9(3)10-5-4-8(2)17-10/h4-6,9H,1-3H3,(H3,13,14,15,16)
InChIKeyCUHIXYHOWBUDDU-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.44
Rot. Bonds3

About 6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine

6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112724390) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID112724390
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(NC(C)c2ccc(C)o2)nc(N)n1
InChIInChI=1S/C12H16N4O/c1-7-6-11(16-12(13)14-7)15-9(3)10-5-4-8(2)17-10/h4-6,9H,1-3H3,(H3,13,14,15,16)
InChIKeyCUHIXYHOWBUDDU-UHFFFAOYSA-N
XLogP2.44
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80801180
6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112726063
6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79828244
6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717909
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112726778
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80800955
6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 39782311
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine
CID 82237135
3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66275154
4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 79033479
6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 80953868

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine (CID 112724390) is 6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine is Cc1cc(NC(C)c2ccc(C)o2)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is CUHIXYHOWBUDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-6-11(16-12(13)14-7)15-9(3)10-5-4-8(2)17-10/h4-6,9H,1-3H3,(H3,13,14,15,16).
What are the key properties of 6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine?
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112724390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).