N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C20H23N5O — CID 56721639

IUPACN-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESc1ccc(CN(Cc2ccco2)c2cc(C3CCNCC3)ncn2)nc1
InChIInChI=1S/C20H23N5O/c1-2-8-22-17(4-1)13-25(14-18-5-3-11-26-18)20-12-19(23-15-24-20)16-6-9-21-10-7-16/h1-5,8,11-12,15-16,21H,6-7,9-10,13-14H2
InChIKeySGEXEGWOCDQCCH-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.14
Rot. Bonds6

About N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 56721639) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID56721639
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESc1ccc(CN(Cc2ccco2)c2cc(C3CCNCC3)ncn2)nc1
InChIInChI=1S/C20H23N5O/c1-2-8-22-17(4-1)13-25(14-18-5-3-11-26-18)20-12-19(23-15-24-20)16-6-9-21-10-7-16/h1-5,8,11-12,15-16,21H,6-7,9-10,13-14H2
InChIKeySGEXEGWOCDQCCH-UHFFFAOYSA-N
XLogP3.14
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Noberastine
CID 60531
Las-38096
CID 11716665
Pyrimidine-4-carboxamide, 26
CID 11220580
4-amino-2-(furan-2-yl)-6-[(2S)-2-hydroxypropoxy]-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
CID 147319722
N~4~-(2-furylmethyl)-N~2~-(2-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2908311
Triazine-4-carboxamide, 10
CID 44520935
Triazine-4-carboxamide, 11
CID 44520936
Triazine-4-carboxamide, 12
CID 44520937
Triazine-4-carboxamide, 13
CID 44520938
N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 4793492

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 56721639) is N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is c1ccc(CN(Cc2ccco2)c2cc(C3CCNCC3)ncn2)nc1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is SGEXEGWOCDQCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-8-22-17(4-1)13-25(14-18-5-3-11-26-18)20-12-19(23-15-24-20)16-6-9-21-10-7-16/h1-5,8,11-12,15-16,21H,6-7,9-10,13-14H2.
What are the key properties of N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-piperidin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 56721639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).