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

C11H21N5 — CID 122281911

IUPAC6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)CCCNc1cc(N(C)C)ncn1
InChIInChI=1S/C11H21N5/c1-15(2)7-5-6-12-10-8-11(16(3)4)14-9-13-10/h8-9H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyRPCSMEXMSZYTIL-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.91
Rot. Bonds6

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

6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 122281911) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID122281911
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)CCCNc1cc(N(C)C)ncn1
InChIInChI=1S/C11H21N5/c1-15(2)7-5-6-12-10-8-11(16(3)4)14-9-13-10/h8-9H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyRPCSMEXMSZYTIL-UHFFFAOYSA-N
XLogP0.91
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
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-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857775
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
6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855266
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112854689
4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857881
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
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-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857798

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 122281911) is 6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)CCCNc1cc(N(C)C)ncn1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is RPCSMEXMSZYTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-15(2)7-5-6-12-10-8-11(16(3)4)14-9-13-10/h8-9H,5-7H2,1-4H3,(H,12,13,14).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 122281911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).