1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

C13H25N5O — CID 80969607

IUPAC1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C13H25N5O/c1-6-18(8-13(4,5)19)11-7-10(17-14)15-12(16-11)9(2)3/h7,9,19H,6,8,14H2,1-5H3,(H,15,16,17)
InChIKeyWQDNDWZHELGNQN-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.48
Rot. Bonds6

About 1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 80969607) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID80969607
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C13H25N5O/c1-6-18(8-13(4,5)19)11-7-10(17-14)15-12(16-11)9(2)3/h7,9,19H,6,8,14H2,1-5H3,(H,15,16,17)
InChIKeyWQDNDWZHELGNQN-UHFFFAOYSA-N
XLogP1.48
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.48
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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Related Compounds

1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80951387
1-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923771
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80969713
1-[ethyl-(6-hydrazinyl-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 80922908
6-hydrazinyl-N,N-bis(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80963989
4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959806
2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80960984
N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80969280
1-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80942101
1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567378
6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 80968795
N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 79661617

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (CID 80969607) is 1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1cc(NN)nc(C(C)C)n1.
What is the InChIKey of 1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is WQDNDWZHELGNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-6-18(8-13(4,5)19)11-7-10(17-14)15-12(16-11)9(2)3/h7,9,19H,6,8,14H2,1-5H3,(H,15,16,17).
What are the key properties of 1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 267.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 80969607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).