N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine

C15H19ClF2N4O — CID 87561210

IUPACN-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine
SMILESCC1(CNCC(F)F)CCN(c2nc(Cl)nc3ccoc23)CC1
InChIInChI=1S/C15H19ClF2N4O/c1-15(9-19-8-11(17)18)3-5-22(6-4-15)13-12-10(2-7-23-12)20-14(16)21-13/h2,7,11,19H,3-6,8-9H2,1H3
InChIKeyNKZAJNOJOZWTRV-UHFFFAOYSA-N
MW344.79 g/mol
LogP3.34
Rot. Bonds5

About N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine

N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine (PubChem CID 87561210) has the molecular formula C15H19ClF2N4O and a molecular weight of 344.79 g/mol. Its IUPAC name is N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine
PubChem CID87561210
Molecular FormulaC15H19ClF2N4O
Molecular Weight344.79 g/mol
Exact Mass344.12
IUPAC NameN-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine
SMILESCC1(CNCC(F)F)CCN(c2nc(Cl)nc3ccoc23)CC1
InChIInChI=1S/C15H19ClF2N4O/c1-15(9-19-8-11(17)18)3-5-22(6-4-15)13-12-10(2-7-23-12)20-14(16)21-13/h2,7,11,19H,3-6,8-9H2,1H3
InChIKeyNKZAJNOJOZWTRV-UHFFFAOYSA-N
XLogP3.34
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine 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

2-methyl-N-(3-morpholinopropyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6602794
2-methyl-N-(2-morpholinoethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6603370
N-propyl-4-[[4-(2,2,2-trifluoroethylamino)furo[3,2-d]pyrimidin-2-yl]amino]benzamide
CID 67129951
CID 68751510
CID 68751510
2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine
CID 68755406
4-(4-(2-Pivalamidoethyl)piperidin-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 71654987
N-[4-methyl-3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90456764
2-ethyl-N-(2-morpholinoethyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6603544
4-N-[3-(dimethylamino)propyl]-2-N-methyl-6-phenylfuro[3,2-d]pyrimidine-2,4-diamine
CID 76317937
7-[[4-(2,2,2-trifluoroethylamino)furo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 137644670
5,5-dimethyl-8-[[4-(2,2,2-trifluoroethylamino)furo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-1-benzazepin-2-one
CID 137654359
Irak4-IN-18
CID 168297059

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine (CID 87561210) is N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine is CC1(CNCC(F)F)CCN(c2nc(Cl)nc3ccoc23)CC1.
What is the InChIKey of N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine?
The InChIKey is NKZAJNOJOZWTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N4O/c1-15(9-19-8-11(17)18)3-5-22(6-4-15)13-12-10(2-7-23-12)20-14(16)21-13/h2,7,11,19H,3-6,8-9H2,1H3.
What are the key properties of N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine?
N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine has a molecular weight of 344.79 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 87561210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).