5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine

C17H24N6 — CID 57470745

IUPAC5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine
SMILESCCCc1nc(N)nc(N)c1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N6/c1-2-6-14-15(16(18)21-17(19)20-14)23-11-9-22(10-12-23)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H4,18,19,20,21)
InChIKeyNVJSDHWZOFXFSJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.92
Rot. Bonds4

About 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine

5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine (PubChem CID 57470745) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine
PubChem CID57470745
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine
SMILESCCCc1nc(N)nc(N)c1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N6/c1-2-6-14-15(16(18)21-17(19)20-14)23-11-9-22(10-12-23)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H4,18,19,20,21)
InChIKeyNVJSDHWZOFXFSJ-UHFFFAOYSA-N
XLogP1.92
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine (CID 57470745) is 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine is CCCc1nc(N)nc(N)c1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine?
The InChIKey is NVJSDHWZOFXFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-2-6-14-15(16(18)21-17(19)20-14)23-11-9-22(10-12-23)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H4,18,19,20,21).
What are the key properties of 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine?
5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 57470745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).