2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine

C10H14ClN3 — CID 106195918

IUPAC2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine
SMILESC/C=C/CCNc1nc(Cl)ncc1C
InChIInChI=1S/C10H14ClN3/c1-3-4-5-6-12-9-8(2)7-13-10(11)14-9/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)/b4-3+
InChIKeyUHCAFPCKEJLUOQ-ONEGZZNKSA-N
MW211.70 g/mol
LogP2.82
Rot. Bonds4

About 2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine

2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine (PubChem CID 106195918) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine
PubChem CID106195918
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine
SMILESC/C=C/CCNc1nc(Cl)ncc1C
InChIInChI=1S/C10H14ClN3/c1-3-4-5-6-12-9-8(2)7-13-10(11)14-9/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)/b4-3+
InChIKeyUHCAFPCKEJLUOQ-ONEGZZNKSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine (CID 106195918) is 2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine is C/C=C/CCNc1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine?
The InChIKey is UHCAFPCKEJLUOQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-3-4-5-6-12-9-8(2)7-13-10(11)14-9/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)/b4-3+.
What are the key properties of 2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine?
2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine has a molecular weight of 211.70 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine is sourced from PubChem (CID 106195918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).