6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine

C17H25N5O — CID 146208120

IUPAC6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine
SMILESCc1cc(-c2cc(N)ncn2)ccc1OCC(C)CC(C)NN
InChIInChI=1S/C17H25N5O/c1-11(6-13(3)22-19)9-23-16-5-4-14(7-12(16)2)15-8-17(18)21-10-20-15/h4-5,7-8,10-11,13,22H,6,9,19H2,1-3H3,(H2,18,20,21)
InChIKeyDTYGOZCVJPXMMD-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.29
Rot. Bonds7

About 6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine

6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine (PubChem CID 146208120) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine
PubChem CID146208120
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine
SMILESCc1cc(-c2cc(N)ncn2)ccc1OCC(C)CC(C)NN
InChIInChI=1S/C17H25N5O/c1-11(6-13(3)22-19)9-23-16-5-4-14(7-12(16)2)15-8-17(18)21-10-20-15/h4-5,7-8,10-11,13,22H,6,9,19H2,1-3H3,(H2,18,20,21)
InChIKeyDTYGOZCVJPXMMD-UHFFFAOYSA-N
XLogP2.29
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine?
The IUPAC name of 6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine (CID 146208120) is 6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine is Cc1cc(-c2cc(N)ncn2)ccc1OCC(C)CC(C)NN.
What is the InChIKey of 6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine?
The InChIKey is DTYGOZCVJPXMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(6-13(3)22-19)9-23-16-5-4-14(7-12(16)2)15-8-17(18)21-10-20-15/h4-5,7-8,10-11,13,22H,6,9,19H2,1-3H3,(H2,18,20,21).
What are the key properties of 6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine?
6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-hydrazinyl-2-methylpentoxy)-3-methylphenyl]pyrimidin-4-amine is sourced from PubChem (CID 146208120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).