N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine

C19H25ClN4O — CID 113400801

IUPACN-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H25ClN4O/c1-2-25-14-19-22-17(20)12-18(23-19)21-16-8-10-24(11-9-16)13-15-6-4-3-5-7-15/h3-7,12,16H,2,8-11,13-14H2,1H3,(H,21,22,23)
InChIKeySJDUXUYPYHPAED-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.74
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine

N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine (PubChem CID 113400801) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
PubChem CID113400801
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H25ClN4O/c1-2-25-14-19-22-17(20)12-18(23-19)21-16-8-10-24(11-9-16)13-15-6-4-3-5-7-15/h3-7,12,16H,2,8-11,13-14H2,1H3,(H,21,22,23)
InChIKeySJDUXUYPYHPAED-UHFFFAOYSA-N
XLogP3.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400811
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
[2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol
CID 24855125
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
CID 114074043
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
1-benzyl-N-(4-ethoxybutyl)piperidin-4-amine
CID 167246336
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401024

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine (CID 113400801) is N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine is CCOCc1nc(Cl)cc(NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine?
The InChIKey is SJDUXUYPYHPAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-2-25-14-19-22-17(20)12-18(23-19)21-16-8-10-24(11-9-16)13-15-6-4-3-5-7-15/h3-7,12,16H,2,8-11,13-14H2,1H3,(H,21,22,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine has a molecular weight of 360.89 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 113400801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).