N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine

C16H19ClN4 — CID 105369461

IUPACN-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
SMILESClc1cncnc1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H19ClN4/c17-15-9-18-12-19-16(15)20-14-7-4-8-21(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,18,19,20)
InChIKeyVLNBJPLRHVHRJY-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.21
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine

N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine (PubChem CID 105369461) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
PubChem CID105369461
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC NameN-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
SMILESClc1cncnc1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H19ClN4/c17-15-9-18-12-19-16(15)20-14-7-4-8-21(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,18,19,20)
InChIKeyVLNBJPLRHVHRJY-UHFFFAOYSA-N
XLogP3.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine
CID 66342377
2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
CID 130558164
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
CID 104777098
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
3-[6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-2-fluoroprop-2-enoic acid
CID 68960130
N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
CID 79042917
3-[6-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91171302
N-[(3R)-1-benzylpyrrolidin-3-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9109166

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine (CID 105369461) is N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine is Clc1cncnc1NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine?
The InChIKey is VLNBJPLRHVHRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-15-9-18-12-19-16(15)20-14-7-4-8-21(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,18,19,20).
What are the key properties of N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine?
N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine has a molecular weight of 302.81 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine is sourced from PubChem (CID 105369461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).