2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide

C16H21N5O2 — CID 54850729

IUPAC2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide
SMILESCCC(C)Oc1ccc(-c2nc(N)nc(C)c2C(=O)NN)cc1
InChIInChI=1S/C16H21N5O2/c1-4-9(2)23-12-7-5-11(6-8-12)14-13(15(22)21-18)10(3)19-16(17)20-14/h5-9H,4,18H2,1-3H3,(H,21,22)(H2,17,19,20)
InChIKeyMRJXQGMHNZMZMJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.82
Rot. Bonds5

About 2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide

2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide (PubChem CID 54850729) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide
PubChem CID54850729
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide
SMILESCCC(C)Oc1ccc(-c2nc(N)nc(C)c2C(=O)NN)cc1
InChIInChI=1S/C16H21N5O2/c1-4-9(2)23-12-7-5-11(6-8-12)14-13(15(22)21-18)10(3)19-16(17)20-14/h5-9H,4,18H2,1-3H3,(H,21,22)(H2,17,19,20)
InChIKeyMRJXQGMHNZMZMJ-UHFFFAOYSA-N
XLogP1.82
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851412
2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
CID 54851744
2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851549
2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851756
2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853982
2-amino-N,4-dimethyl-6-(4-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853581
2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide
CID 54850597
2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide
CID 54854058
2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853701
ethyl 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylate
CID 54851650
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853951

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide?
The IUPAC name of 2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide (CID 54850729) is 2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide?
The canonical SMILES for 2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide is CCC(C)Oc1ccc(-c2nc(N)nc(C)c2C(=O)NN)cc1.
What is the InChIKey of 2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide?
The InChIKey is MRJXQGMHNZMZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-4-9(2)23-12-7-5-11(6-8-12)14-13(15(22)21-18)10(3)19-16(17)20-14/h5-9H,4,18H2,1-3H3,(H,21,22)(H2,17,19,20).
What are the key properties of 2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide?
2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide has a molecular weight of 315.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide is sourced from PubChem (CID 54850729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).