2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine

C16H21N3O — CID 43690494

IUPAC2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine
SMILESCC1CC1c1ccc(CNc2ccc(N(C)C)nc2)o1
InChIInChI=1S/C16H21N3O/c1-11-8-14(11)15-6-5-13(20-15)10-17-12-4-7-16(18-9-12)19(2)3/h4-7,9,11,14,17H,8,10H2,1-3H3
InChIKeyPFQDLRCAMVZMIY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.48
Rot. Bonds5

About 2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine

2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine (PubChem CID 43690494) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine
PubChem CID43690494
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine
SMILESCC1CC1c1ccc(CNc2ccc(N(C)C)nc2)o1
InChIInChI=1S/C16H21N3O/c1-11-8-14(11)15-6-5-13(20-15)10-17-12-4-7-16(18-9-12)19(2)3/h4-7,9,11,14,17H,8,10H2,1-3H3
InChIKeyPFQDLRCAMVZMIY-UHFFFAOYSA-N
XLogP3.48
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine (CID 43690494) is 2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine is CC1CC1c1ccc(CNc2ccc(N(C)C)nc2)o1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine?
The InChIKey is PFQDLRCAMVZMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-8-14(11)15-6-5-13(20-15)10-17-12-4-7-16(18-9-12)19(2)3/h4-7,9,11,14,17H,8,10H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine?
2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine has a molecular weight of 271.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine is sourced from PubChem (CID 43690494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).