N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C21H33N7 — CID 54578205

IUPACN-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1nc(-c2ccc(N3CCN(C)CC3)nc2)nc(NCCCN(C)C)c1C
InChIInChI=1S/C21H33N7/c1-16-17(2)24-21(25-20(16)22-9-6-10-26(3)4)18-7-8-19(23-15-18)28-13-11-27(5)12-14-28/h7-8,15H,6,9-14H2,1-5H3,(H,22,24,25)
InChIKeyOFEBVWYNGUNSSG-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.27
Rot. Bonds7

About N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 54578205) has the molecular formula C21H33N7 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID54578205
Molecular FormulaC21H33N7
Molecular Weight383.54 g/mol
Exact Mass383.28
IUPAC NameN-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1nc(-c2ccc(N3CCN(C)CC3)nc2)nc(NCCCN(C)C)c1C
InChIInChI=1S/C21H33N7/c1-16-17(2)24-21(25-20(16)22-9-6-10-26(3)4)18-7-8-19(23-15-18)28-13-11-27(5)12-14-28/h7-8,15H,6,9-14H2,1-5H3,(H,22,24,25)
InChIKeyOFEBVWYNGUNSSG-UHFFFAOYSA-N
XLogP2.27
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
Amprolium ion
CID 2178
Ngd 94-1
CID 188942
Jnj-38893777
CID 16742146
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
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Pik-iii
CID 67983123
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine
CID 212817

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 54578205) is N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is Cc1nc(-c2ccc(N3CCN(C)CC3)nc2)nc(NCCCN(C)C)c1C.
What is the InChIKey of N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is OFEBVWYNGUNSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7/c1-16-17(2)24-21(25-20(16)22-9-6-10-26(3)4)18-7-8-19(23-15-18)28-13-11-27(5)12-14-28/h7-8,15H,6,9-14H2,1-5H3,(H,22,24,25).
What are the key properties of N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 383.54 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 54578205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).