N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H27N5O — CID 81006057

IUPACN-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCOCCNc1nc(C(C)C)nc(NN)c1C
InChIInChI=1S/C14H27N5O/c1-5-6-8-20-9-7-16-13-11(4)14(19-15)18-12(17-13)10(2)3/h10H,5-9,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyQZVUVJYFHHCQKR-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.42
Rot. Bonds9

About N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 81006057) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID81006057
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCOCCNc1nc(C(C)C)nc(NN)c1C
InChIInChI=1S/C14H27N5O/c1-5-6-8-20-9-7-16-13-11(4)14(19-15)18-12(17-13)10(2)3/h10H,5-9,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyQZVUVJYFHHCQKR-UHFFFAOYSA-N
XLogP2.42
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.42
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'}

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Related Compounds

N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
CID 115565447
6-hydrazinyl-N-(2-methoxyethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001779
N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007682
6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
CID 82946495
N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80903690
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106847086
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 107324334
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994078
N-(cyclopropylmethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001481
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163644

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 81006057) is N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCCCOCCNc1nc(C(C)C)nc(NN)c1C.
What is the InChIKey of N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QZVUVJYFHHCQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-5-6-8-20-9-7-16-13-11(4)14(19-15)18-12(17-13)10(2)3/h10H,5-9,15H2,1-4H3,(H2,16,17,18,19).
What are the key properties of N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 2.42, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 81006057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).