5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine

C16H21N5O — CID 21290634

IUPAC5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine
SMILESCOc1ccc(N2CCC(c3cnc(N)nc3N)CC2)cc1
InChIInChI=1S/C16H21N5O/c1-22-13-4-2-12(3-5-13)21-8-6-11(7-9-21)14-10-19-16(18)20-15(14)17/h2-5,10-11H,6-9H2,1H3,(H4,17,18,19,20)
InChIKeyVTQGRSGUJPAUPZ-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.03
Rot. Bonds3

About 5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine

5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine (PubChem CID 21290634) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine
PubChem CID21290634
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine
SMILESCOc1ccc(N2CCC(c3cnc(N)nc3N)CC2)cc1
InChIInChI=1S/C16H21N5O/c1-22-13-4-2-12(3-5-13)21-8-6-11(7-9-21)14-10-19-16(18)20-15(14)17/h2-5,10-11H,6-9H2,1H3,(H4,17,18,19,20)
InChIKeyVTQGRSGUJPAUPZ-UHFFFAOYSA-N
XLogP2.03
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-[8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine
CID 21290612
5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine
CID 5271336
5-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrimidine-2,4-diamine;5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 159087120
1-(4-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 57363410
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
5-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-amine
CID 80651957
1-(4-ethylphenyl)-4-(4-methoxyphenyl)piperidine
CID 166657002
5-piperidin-4-ylpyrimidine-2,4-diamine
CID 22461017
1-(4-methoxyphenyl)piperidine
CID 10130315
4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 118709184
1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine
CID 117024391
5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 174851736

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine (CID 21290634) is 5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine is COc1ccc(N2CCC(c3cnc(N)nc3N)CC2)cc1.
What is the InChIKey of 5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine?
The InChIKey is VTQGRSGUJPAUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-22-13-4-2-12(3-5-13)21-8-6-11(7-9-21)14-10-19-16(18)20-15(14)17/h2-5,10-11H,6-9H2,1H3,(H4,17,18,19,20).
What are the key properties of 5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine?
5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine has a molecular weight of 299.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 21290634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).