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

C12H23N5 — CID 112887176

IUPAC4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)CCNc1nccc(NC(C)(C)C)n1
InChIInChI=1S/C12H23N5/c1-12(2,3)16-10-6-7-13-11(15-10)14-8-9-17(4)5/h6-7H,8-9H2,1-5H3,(H2,13,14,15,16)
InChIKeyZGSKABYAHAFFET-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.66
Rot. Bonds5

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

4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (PubChem CID 112887176) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
PubChem CID112887176
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)CCNc1nccc(NC(C)(C)C)n1
InChIInChI=1S/C12H23N5/c1-12(2,3)16-10-6-7-13-11(15-10)14-8-9-17(4)5/h6-7H,8-9H2,1-5H3,(H2,13,14,15,16)
InChIKeyZGSKABYAHAFFET-UHFFFAOYSA-N
XLogP1.66
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887254
4-[[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113193789
2-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887000
4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112897132
4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887204
4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887250
2-N-[2-(dimethylamino)ethyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887236
2-N-[2-(dimethylamino)ethyl]-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 112887148
2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295333
4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653412
methyl 2-[[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]amino]benzoate
CID 112887223
4-N-[2-(dimethylamino)ethyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886841

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (CID 112887176) is 4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is CN(C)CCNc1nccc(NC(C)(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The InChIKey is ZGSKABYAHAFFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-12(2,3)16-10-6-7-13-11(15-10)14-8-9-17(4)5/h6-7H,8-9H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112887176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).