5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine

C18H25N5O — CID 22326855

IUPAC5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2ccc(OCCCN3CCCCC3)cc2)c(N)n1
InChIInChI=1S/C18H25N5O/c19-17-16(13-21-18(20)22-17)14-5-7-15(8-6-14)24-12-4-11-23-9-2-1-3-10-23/h5-8,13H,1-4,9-12H2,(H4,19,20,21,22)
InChIKeyMEYMMLPVJXXCRA-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.56
Rot. Bonds6

About 5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine

5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 22326855) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID22326855
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2ccc(OCCCN3CCCCC3)cc2)c(N)n1
InChIInChI=1S/C18H25N5O/c19-17-16(13-21-18(20)22-17)14-5-7-15(8-6-14)24-12-4-11-23-9-2-1-3-10-23/h5-8,13H,1-4,9-12H2,(H4,19,20,21,22)
InChIKeyMEYMMLPVJXXCRA-UHFFFAOYSA-N
XLogP2.56
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
2,3,7,8-tetrakis[4-(4-piperidin-1-ylbutoxy)phenyl]pyrazino[2,3-g]quinoxaline
CID 163198870
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
CID 11978855
[2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine
CID 126719606
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine
CID 121335035
7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 22649254
3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline
CID 145305813
3-[3-amino-6-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazin-2-yl]-1H-pyrazole-5-carboxamide
CID 176895440
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine
CID 80870583

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine (CID 22326855) is 5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine is Nc1ncc(-c2ccc(OCCCN3CCCCC3)cc2)c(N)n1.
What is the InChIKey of 5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is MEYMMLPVJXXCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c19-17-16(13-21-18(20)22-17)14-5-7-15(8-6-14)24-12-4-11-23-9-2-1-3-10-23/h5-8,13H,1-4,9-12H2,(H4,19,20,21,22).
What are the key properties of 5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine?
5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 327.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 22326855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).