4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine

C12H24N6 — CID 154177370

IUPAC4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine
SMILESCN1CCN(CCCC2(N)C=CNC(N)=N2)CC1
InChIInChI=1S/C12H24N6/c1-17-7-9-18(10-8-17)6-2-3-12(14)4-5-15-11(13)16-12/h4-5H,2-3,6-10,14H2,1H3,(H3,13,15,16)
InChIKeyVVWYBHYEMSWVFC-UHFFFAOYSA-N
MW252.37 g/mol
LogP-0.90
Rot. Bonds4

About 4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine

4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine (PubChem CID 154177370) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine
PubChem CID154177370
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine
SMILESCN1CCN(CCCC2(N)C=CNC(N)=N2)CC1
InChIInChI=1S/C12H24N6/c1-17-7-9-18(10-8-17)6-2-3-12(14)4-5-15-11(13)16-12/h4-5H,2-3,6-10,14H2,1H3,(H3,13,15,16)
InChIKeyVVWYBHYEMSWVFC-UHFFFAOYSA-N
XLogP-0.90
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine
CID 69052138
4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine
CID 69052223
4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine
CID 142576060
4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 149162525
4-ethyl-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152324885
4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 152770704
4-(4-methylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
CID 153525528
4-ethyl-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 153836413
4-ethyl-6-piperazin-1-yl-1H-pyrimidine-2,4-diamine
CID 153840638
6-[3-(methylamino)piperidin-1-yl]-4-(2-methylpropyl)-1H-pyrimidine-2,4-diamine
CID 153884649
4-methyl-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 153884651
4-ethyl-2-N-methyl-2-N-piperidin-4-yl-1H-pyrimidine-2,4-diamine
CID 153898678

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine (CID 154177370) is 4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine is CN1CCN(CCCC2(N)C=CNC(N)=N2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is VVWYBHYEMSWVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-17-7-9-18(10-8-17)6-2-3-12(14)4-5-15-11(13)16-12/h4-5H,2-3,6-10,14H2,1H3,(H3,13,15,16).
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine?
4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 252.37 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154177370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).