N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine

C11H19ClN4 — CID 133288706

IUPACN'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nc(Cl)cc(NCCNC(C)(C)C)n1
InChIInChI=1S/C11H19ClN4/c1-8-15-9(12)7-10(16-8)13-5-6-14-11(2,3)4/h7,14H,5-6H2,1-4H3,(H,13,15,16)
InChIKeyTXOPPDXRTWBEHH-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.24
Rot. Bonds4

About N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine

N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 133288706) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID133288706
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC NameN'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nc(Cl)cc(NCCNC(C)(C)C)n1
InChIInChI=1S/C11H19ClN4/c1-8-15-9(12)7-10(16-8)13-5-6-14-11(2,3)4/h7,14H,5-6H2,1-4H3,(H,13,15,16)
InChIKeyTXOPPDXRTWBEHH-UHFFFAOYSA-N
XLogP2.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635870
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203473
N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
CID 115605791
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103721020
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737
6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103744300
6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 62482738
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide
CID 56805454
N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine
CID 135382315

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine (CID 133288706) is N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine is Cc1nc(Cl)cc(NCCNC(C)(C)C)n1.
What is the InChIKey of N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is TXOPPDXRTWBEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-8-15-9(12)7-10(16-8)13-5-6-14-11(2,3)4/h7,14H,5-6H2,1-4H3,(H,13,15,16).
What are the key properties of N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine?
N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 133288706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).