N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine

C14H19N3O — CID 113455509

IUPACN-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(-c2occc2C)nc1C
InChIInChI=1S/C14H19N3O/c1-5-15-8-12-10(3)16-14(17-11(12)4)13-9(2)6-7-18-13/h6-7,15H,5,8H2,1-4H3
InChIKeyCLKQRQSZFCMNAP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.77
Rot. Bonds4

About N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine

N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 113455509) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID113455509
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(-c2occc2C)nc1C
InChIInChI=1S/C14H19N3O/c1-5-15-8-12-10(3)16-14(17-11(12)4)13-9(2)6-7-18-13/h6-7,15H,5,8H2,1-4H3
InChIKeyCLKQRQSZFCMNAP-UHFFFAOYSA-N
XLogP2.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2910633
CID 2910633
2-Chloro-N-[(furan-2-yl)methyl]quinazolin-4-amine
CID 1599048
N~4~-(2-furylmethyl)-N~2~-(2-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2908311
N-[(Furan-2-Yl)methyl]-2-Phenylquinazolin-4-Amine
CID 719250
Acetamide, 2-(4,6-dimethylpyrimidin-2-yl)thio-N-(2-furfuryl)-
CID 588017
N-(2-furylmethyl)-N'-(6-methylpyridin-2-yl)thiourea
CID 3342641
N~4~-(furan-2-ylmethyl)-N~2~-(4-methylphenyl)quinazoline-2,4-diamine
CID 886392
7-(2-Furanylmethyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 4962113
N4-[(furan-2-yl)methyl]-N2-(2-methylphenyl)quinazoline-2,4-diamine
CID 886276
N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2105425
N4-(furan-2-ylmethyl)-N2-(p-tolyl)quinazoline-2,4-diamine hydrochloride
CID 2908640
2-[(2-Furylmethyl)amino]-4,7-dimethyl-6,7,8-trihydroquinazolin-5-one
CID 2979657

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine (CID 113455509) is N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1c(C)nc(-c2occc2C)nc1C.
What is the InChIKey of N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is CLKQRQSZFCMNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-5-15-8-12-10(3)16-14(17-11(12)4)13-9(2)6-7-18-13/h6-7,15H,5,8H2,1-4H3.
What are the key properties of N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine?
N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 113455509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).