2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C15H25ClN4O — CID 80945888

IUPAC2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(NCCCN2CCOCC2)n1
InChIInChI=1S/C15H25ClN4O/c1-15(2,3)14-18-12(16)11-13(19-14)17-5-4-6-20-7-9-21-10-8-20/h11H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyHRPPWDUDXRODQP-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.56
Rot. Bonds5

About 2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 80945888) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID80945888
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(NCCCN2CCOCC2)n1
InChIInChI=1S/C15H25ClN4O/c1-15(2,3)14-18-12(16)11-13(19-14)17-5-4-6-20-7-9-21-10-8-20/h11H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyHRPPWDUDXRODQP-UHFFFAOYSA-N
XLogP2.56
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine
CID 80940890
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine
CID 103888266
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
2-tert-butyl-6-chloro-N-pent-4-ynylpyrimidin-4-amine
CID 106223105
2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine
CID 80946117
6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
CID 63961941
6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 82456613
2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 162638269
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
N-[2-(azepan-1-yl)ethyl]-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194008
2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
CID 83034209

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 80945888) is 2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is CC(C)(C)c1nc(Cl)cc(NCCCN2CCOCC2)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is HRPPWDUDXRODQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-15(2,3)14-18-12(16)11-13(19-14)17-5-4-6-20-7-9-21-10-8-20/h11H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 312.85 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80945888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).