4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine

C13H25N5 — CID 112857775

IUPAC4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
SMILESCN(C)CCCNc1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C13H25N5/c1-13(2,3)17-12-9-11(15-10-16-12)14-7-6-8-18(4)5/h9-10H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyIADBZKZCUGGHLV-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.05
Rot. Bonds6

About 4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine

4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine (PubChem CID 112857775) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
PubChem CID112857775
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
SMILESCN(C)CCCNc1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C13H25N5/c1-13(2,3)17-12-9-11(15-10-16-12)14-7-6-8-18(4)5/h9-10H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyIADBZKZCUGGHLV-UHFFFAOYSA-N
XLogP2.05
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281911
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 61233848
6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855266
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870568
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112854689
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857881
6-N-[3-(dimethylamino)propyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857799
6-N-[3-(dimethylamino)propyl]-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112857808
6-N-[3-(dimethylamino)propyl]-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857728

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine (CID 112857775) is 4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine is CN(C)CCCNc1cc(NC(C)(C)C)ncn1.
What is the InChIKey of 4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine?
The InChIKey is IADBZKZCUGGHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-13(2,3)17-12-9-11(15-10-16-12)14-7-6-8-18(4)5/h9-10H,6-8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine has a molecular weight of 251.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112857775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).