N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine

C14H25N5O — CID 81007682

IUPACN-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCCCOCCNc1nc(C2CC2)nc(NN)c1C
InChIInChI=1S/C14H25N5O/c1-3-4-8-20-9-7-16-12-10(2)13(19-15)18-14(17-12)11-5-6-11/h11H,3-9,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyKJMIQPXNEPPOCX-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.18
Rot. Bonds9

About N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine

N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 81007682) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID81007682
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCCCOCCNc1nc(C2CC2)nc(NN)c1C
InChIInChI=1S/C14H25N5O/c1-3-4-8-20-9-7-16-12-10(2)13(19-15)18-14(17-12)11-5-6-11/h11H,3-9,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyKJMIQPXNEPPOCX-UHFFFAOYSA-N
XLogP2.18
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine with MolForge

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Related Compounds

2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine
CID 115565442
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006057
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80903690
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-4-amine
CID 81006052
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
N-(2-cyclohexylethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80994713
ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80995205
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341084
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 80994731
4-N-(2-butoxyethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80957513

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 81007682) is N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine is CCCCOCCNc1nc(C2CC2)nc(NN)c1C.
What is the InChIKey of N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is KJMIQPXNEPPOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-4-8-20-9-7-16-12-10(2)13(19-15)18-14(17-12)11-5-6-11/h11H,3-9,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 279.39 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 81007682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).