4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine

C8H14ClN5 — CID 23477594

IUPAC4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine
SMILESCC(C)(C)NNc1ncnc(Cl)c1N
InChIInChI=1S/C8H14ClN5/c1-8(2,3)14-13-7-5(10)6(9)11-4-12-7/h4,14H,10H2,1-3H3,(H,11,12,13)
InChIKeyBYKDRBWRDAPQSH-UHFFFAOYSA-N
MW215.69 g/mol
LogP1.43
Rot. Bonds2

About 4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine

4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine (PubChem CID 23477594) has the molecular formula C8H14ClN5 and a molecular weight of 215.69 g/mol. Its IUPAC name is 4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine
PubChem CID23477594
Molecular FormulaC8H14ClN5
Molecular Weight215.69 g/mol
Exact Mass215.09
IUPAC Name4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine
SMILESCC(C)(C)NNc1ncnc(Cl)c1N
InChIInChI=1S/C8H14ClN5/c1-8(2,3)14-13-7-5(10)6(9)11-4-12-7/h4,14H,10H2,1-3H3,(H,11,12,13)
InChIKeyBYKDRBWRDAPQSH-UHFFFAOYSA-N
XLogP1.43
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.69
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19150984
N-[(5-amino-6-chloropyrimidin-4-yl)amino]formamide
CID 522919
4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
CID 19152787
4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 23477516
6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544389
6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine
CID 19152757
4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
CID 22540813
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine
CID 19146005
2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141187
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 112695149

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine?
The IUPAC name of 4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine (CID 23477594) is 4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine.
What is the SMILES notation for 4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine?
The canonical SMILES for 4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine is CC(C)(C)NNc1ncnc(Cl)c1N.
What is the InChIKey of 4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine?
The InChIKey is BYKDRBWRDAPQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5/c1-8(2,3)14-13-7-5(10)6(9)11-4-12-7/h4,14H,10H2,1-3H3,(H,11,12,13).
What are the key properties of 4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine?
4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine has a molecular weight of 215.69 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine is sourced from PubChem (CID 23477594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).