6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine

C10H14ClN3 — CID 131204276

IUPAC6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine
SMILESC=CC(C)(C)CNc1cc(Cl)ncn1
InChIInChI=1S/C10H14ClN3/c1-4-10(2,3)6-12-9-5-8(11)13-7-14-9/h4-5,7H,1,6H2,2-3H3,(H,12,13,14)
InChIKeyFKQVCKBEULHGQX-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.75
Rot. Bonds4

About 6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine

6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine (PubChem CID 131204276) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine
PubChem CID131204276
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine
SMILESC=CC(C)(C)CNc1cc(Cl)ncn1
InChIInChI=1S/C10H14ClN3/c1-4-10(2,3)6-12-9-5-8(11)13-7-14-9/h4-5,7H,1,6H2,2-3H3,(H,12,13,14)
InChIKeyFKQVCKBEULHGQX-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine (CID 131204276) is 6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine is C=CC(C)(C)CNc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine?
The InChIKey is FKQVCKBEULHGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-4-10(2,3)6-12-9-5-8(11)13-7-14-9/h4-5,7H,1,6H2,2-3H3,(H,12,13,14).
What are the key properties of 6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine?
6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine has a molecular weight of 211.70 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethylbut-3-enyl)pyrimidin-4-amine is sourced from PubChem (CID 131204276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).