N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine

C14H22ClN3O — CID 106405828

IUPACN-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine
SMILESC=CCCOCCNc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C14H22ClN3O/c1-5-6-8-19-9-7-16-12-10-11(15)17-13(18-12)14(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,16,17,18)
InChIKeyXEOWRCXRZXAREB-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.43
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine

N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine (PubChem CID 106405828) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine
PubChem CID106405828
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine
SMILESC=CCCOCCNc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C14H22ClN3O/c1-5-6-8-19-9-7-16-12-10-11(15)17-13(18-12)14(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,16,17,18)
InChIKeyXEOWRCXRZXAREB-UHFFFAOYSA-N
XLogP3.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 114184791
N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine
CID 103889042
N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 114184642
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
6-chloro-N-[2-(2-methylpropoxy)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768428
2-tert-butyl-6-chloro-N-pent-4-ynylpyrimidin-4-amine
CID 106223105
N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 106405801
2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80966986
2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341655
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
ethyl 4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butanoate
CID 80951372

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine (CID 106405828) is N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine is C=CCCOCCNc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine?
The InChIKey is XEOWRCXRZXAREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-5-6-8-19-9-7-16-12-10-11(15)17-13(18-12)14(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,16,17,18).
What are the key properties of N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine?
N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine has a molecular weight of 283.80 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine is sourced from PubChem (CID 106405828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).