6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine

C13H16ClN3O — CID 63727965

IUPAC6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC(C)CCc1ccco1
InChIInChI=1S/C13H16ClN3O/c1-9(5-6-11-4-3-7-18-11)17-13-10(2)12(14)15-8-16-13/h3-4,7-9H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyRQVJQTGNJTYSDJ-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.46
Rot. Bonds5

About 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine

6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine (PubChem CID 63727965) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine
PubChem CID63727965
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC(C)CCc1ccco1
InChIInChI=1S/C13H16ClN3O/c1-9(5-6-11-4-3-7-18-11)17-13-10(2)12(14)15-8-16-13/h3-4,7-9H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyRQVJQTGNJTYSDJ-UHFFFAOYSA-N
XLogP3.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-nitropyrimidin-4-amine
CID 62100387
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979448
3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83187973
2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine
CID 55080552
5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
CID 80805349
2-[(6-chloro-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 63730458
ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947894
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid
CID 63379862
N-[4-(furan-2-yl)butan-2-yl]pyridazin-3-amine
CID 62482242
4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136975015
4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107787692

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine (CID 63727965) is 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1NC(C)CCc1ccco1.
What is the InChIKey of 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine?
The InChIKey is RQVJQTGNJTYSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9(5-6-11-4-3-7-18-11)17-13-10(2)12(14)15-8-16-13/h3-4,7-9H,5-6H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine?
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine has a molecular weight of 265.74 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63727965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).