4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine

C15H21N5O — CID 19140123

IUPAC4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCC1CCCCN1c1ncnc(NCc2ccco2)c1N
InChIInChI=1S/C15H21N5O/c1-11-5-2-3-7-20(11)15-13(16)14(18-10-19-15)17-9-12-6-4-8-21-12/h4,6,8,10-11H,2-3,5,7,9,16H2,1H3,(H,17,18,19)
InChIKeyQYGKRMYGQSJMRJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.64
Rot. Bonds4

About 4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine

4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19140123) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
PubChem CID19140123
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCC1CCCCN1c1ncnc(NCc2ccco2)c1N
InChIInChI=1S/C15H21N5O/c1-11-5-2-3-7-20(11)15-13(16)14(18-10-19-15)17-9-12-6-4-8-21-12/h4,6,8,10-11H,2-3,5,7,9,16H2,1H3,(H,17,18,19)
InChIKeyQYGKRMYGQSJMRJ-UHFFFAOYSA-N
XLogP2.64
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140137
4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
CID 19146187
6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19136939
N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19140174
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169
4-N-(furan-2-ylmethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455196
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 19146076
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 19146084
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
N-(furan-2-ylmethyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23491913

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine (CID 19140123) is 4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine is CC1CCCCN1c1ncnc(NCc2ccco2)c1N.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is QYGKRMYGQSJMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-5-2-3-7-20(11)15-13(16)14(18-10-19-15)17-9-12-6-4-8-21-12/h4,6,8,10-11H,2-3,5,7,9,16H2,1H3,(H,17,18,19).
What are the key properties of 4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19140123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).