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

C12H23N5 — CID 25128828

IUPAC6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)CCNc1cc(C(C)(C)C)nc(N)n1
InChIInChI=1S/C12H23N5/c1-12(2,3)9-8-10(16-11(13)15-9)14-6-7-17(4)5/h8H,6-7H2,1-5H3,(H3,13,14,15,16)
InChIKeyRSDMQJWHMWOFOS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.33
Rot. Bonds4

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

6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (PubChem CID 25128828) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
PubChem CID25128828
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)CCNc1cc(C(C)(C)C)nc(N)n1
InChIInChI=1S/C12H23N5/c1-12(2,3)9-8-10(16-11(13)15-9)14-6-7-17(4)5/h8H,6-7H2,1-5H3,(H3,13,14,15,16)
InChIKeyRSDMQJWHMWOFOS-UHFFFAOYSA-N
XLogP1.33
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (CID 25128828) is 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is CN(C)CCNc1cc(C(C)(C)C)nc(N)n1.
What is the InChIKey of 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The InChIKey is RSDMQJWHMWOFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-12(2,3)9-8-10(16-11(13)15-9)14-6-7-17(4)5/h8H,6-7H2,1-5H3,(H3,13,14,15,16).
What are the key properties of 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 25128828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).