4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine

C20H39ClN10 — CID 161178894

IUPAC4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN.Cc1cc(Cl)nc(N)n1.Cc1cc(NCCCN(C)C)nc(N)n1
InChIInChI=1S/C10H19N5.C5H6ClN3.C5H14N2/c1-8-7-9(14-10(11)13-8)12-5-4-6-15(2)3;1-3-2-4(6)9-5(7)8-3;1-7(2)5-3-4-6/h7H,4-6H2,1-3H3,(H3,11,12,13,14);2H,1H3,(H2,7,8,9);3-6H2,1-2H3
InChIKeyUSEIFNHYHKIJPK-UHFFFAOYSA-N
MW455.06 g/mol
LogP1.65
Rot. Bonds8

About 4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine

4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine (PubChem CID 161178894) has the molecular formula C20H39ClN10 and a molecular weight of 455.06 g/mol. Its IUPAC name is 4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine
PubChem CID161178894
Molecular FormulaC20H39ClN10
Molecular Weight455.06 g/mol
Exact Mass454.30
IUPAC Name4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN.Cc1cc(Cl)nc(N)n1.Cc1cc(NCCCN(C)C)nc(N)n1
InChIInChI=1S/C10H19N5.C5H6ClN3.C5H14N2/c1-8-7-9(14-10(11)13-8)12-5-4-6-15(2)3;1-3-2-4(6)9-5(7)8-3;1-7(2)5-3-4-6/h7H,4-6H2,1-3H3,(H3,11,12,13,14);2H,1H3,(H2,7,8,9);3-6H2,1-2H3
InChIKeyUSEIFNHYHKIJPK-UHFFFAOYSA-N
XLogP1.65
TPSA148.13 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.06
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine (CID 161178894) is 4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine is CN(C)CCCN.Cc1cc(Cl)nc(N)n1.Cc1cc(NCCCN(C)C)nc(N)n1.
What is the InChIKey of 4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine?
The InChIKey is USEIFNHYHKIJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5.C5H6ClN3.C5H14N2/c1-8-7-9(14-10(11)13-8)12-5-4-6-15(2)3;1-3-2-4(6)9-5(7)8-3;1-7(2)5-3-4-6/h7H,4-6H2,1-3H3,(H3,11,12,13,14);2H,1H3,(H2,7,8,9);3-6H2,1-2H3.
What are the key properties of 4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine?
4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine has a molecular weight of 455.06 g/mol, XLogP of 1.65, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 161178894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).