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

C12H21N5 — CID 112854689

IUPAC4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
SMILESCN(C)CCCNc1cc(NC2CC2)ncn1
InChIInChI=1S/C12H21N5/c1-17(2)7-3-6-13-11-8-12(15-9-14-11)16-10-4-5-10/h8-10H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyKGBLXBHUCMXTQL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds7

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

4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine (PubChem CID 112854689) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
PubChem CID112854689
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
SMILESCN(C)CCCNc1cc(NC2CC2)ncn1
InChIInChI=1S/C12H21N5/c1-17(2)7-3-6-13-11-8-12(15-9-14-11)16-10-4-5-10/h8-10H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyKGBLXBHUCMXTQL-UHFFFAOYSA-N
XLogP1.41
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.41
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

4-N-cyclopropyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112854687
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857775
6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855266
6-N-[3-(dimethylamino)propyl]-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112857808
6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281911
6-N-[2-(dimethylamino)ethyl]-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 112857401
4-N-cyclooctyl-6-N-[3-(dimethylamino)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 11164148
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 61233848
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
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine (CID 112854689) is 4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine is CN(C)CCCNc1cc(NC2CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine?
The InChIKey is KGBLXBHUCMXTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-17(2)7-3-6-13-11-8-12(15-9-14-11)16-10-4-5-10/h8-10H,3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112854689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).