2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine

C12H22ClN5 — CID 82459336

IUPAC2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine
SMILESCN(C)CCNc1nc(C(C)(C)C)nc(Cl)c1N
InChIInChI=1S/C12H22ClN5/c1-12(2,3)11-16-9(13)8(14)10(17-11)15-6-7-18(4)5/h6-7,14H2,1-5H3,(H,15,16,17)
InChIKeyYPHJLKXWJIZGRC-UHFFFAOYSA-N
MW271.80 g/mol
LogP1.98
Rot. Bonds4

About 2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine

2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine (PubChem CID 82459336) has the molecular formula C12H22ClN5 and a molecular weight of 271.80 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine
PubChem CID82459336
Molecular FormulaC12H22ClN5
Molecular Weight271.80 g/mol
Exact Mass271.16
IUPAC Name2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine
SMILESCN(C)CCNc1nc(C(C)(C)C)nc(Cl)c1N
InChIInChI=1S/C12H22ClN5/c1-12(2,3)11-16-9(13)8(14)10(17-11)15-6-7-18(4)5/h6-7,14H2,1-5H3,(H,15,16,17)
InChIKeyYPHJLKXWJIZGRC-UHFFFAOYSA-N
XLogP1.98
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine?
The IUPAC name of 2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine (CID 82459336) is 2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine is CN(C)CCNc1nc(C(C)(C)C)nc(Cl)c1N.
What is the InChIKey of 2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine?
The InChIKey is YPHJLKXWJIZGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN5/c1-12(2,3)11-16-9(13)8(14)10(17-11)15-6-7-18(4)5/h6-7,14H2,1-5H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine?
2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine has a molecular weight of 271.80 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 82459336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).