5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine

C16H24N8 — CID 151664291

IUPAC5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine
SMILESCCCc1nc(N)nc(N)c1N1CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C16H24N8/c1-3-4-12-13(14(17)22-15(18)21-12)23-5-7-24(8-6-23)16-19-9-11(2)10-20-16/h9-10H,3-8H2,1-2H3,(H4,17,18,21,22)
InChIKeyQXEOHAONUFXQCZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.02
Rot. Bonds4

About 5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine

5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine (PubChem CID 151664291) has the molecular formula C16H24N8 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine
PubChem CID151664291
Molecular FormulaC16H24N8
Molecular Weight328.42 g/mol
Exact Mass328.21
IUPAC Name5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine
SMILESCCCc1nc(N)nc(N)c1N1CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C16H24N8/c1-3-4-12-13(14(17)22-15(18)21-12)23-5-7-24(8-6-23)16-19-9-11(2)10-20-16/h9-10H,3-8H2,1-2H3,(H4,17,18,21,22)
InChIKeyQXEOHAONUFXQCZ-UHFFFAOYSA-N
XLogP1.02
TPSA110.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine (CID 151664291) is 5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine is CCCc1nc(N)nc(N)c1N1CCN(c2ncc(C)cn2)CC1.
What is the InChIKey of 5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine?
The InChIKey is QXEOHAONUFXQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8/c1-3-4-12-13(14(17)22-15(18)21-12)23-5-7-24(8-6-23)16-19-9-11(2)10-20-16/h9-10H,3-8H2,1-2H3,(H4,17,18,21,22).
What are the key properties of 5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine?
5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine has a molecular weight of 328.42 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-6-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 151664291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).