2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine

C19H26FN5 — CID 44526625

IUPAC2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine
SMILESCCCc1cc(NC2CCN(C)CC2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H26FN5/c1-3-4-17-13-18(21-16-9-11-25(2)12-10-16)24-19(23-17)22-15-7-5-14(20)6-8-15/h5-8,13,16H,3-4,9-12H2,1-2H3,(H2,21,22,23,24)
InChIKeyNRBIMXNTEJMNSK-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.82
Rot. Bonds6

About 2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine

2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine (PubChem CID 44526625) has the molecular formula C19H26FN5 and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine
PubChem CID44526625
Molecular FormulaC19H26FN5
Molecular Weight343.45 g/mol
Exact Mass343.22
IUPAC Name2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine
SMILESCCCc1cc(NC2CCN(C)CC2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H26FN5/c1-3-4-17-13-18(21-16-9-11-25(2)12-10-16)24-19(23-17)22-15-7-5-14(20)6-8-15/h5-8,13,16H,3-4,9-12H2,1-2H3,(H2,21,22,23,24)
InChIKeyNRBIMXNTEJMNSK-UHFFFAOYSA-N
XLogP3.82
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine (CID 44526625) is 2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine is CCCc1cc(NC2CCN(C)CC2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine?
The InChIKey is NRBIMXNTEJMNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5/c1-3-4-17-13-18(21-16-9-11-25(2)12-10-16)24-19(23-17)22-15-7-5-14(20)6-8-15/h5-8,13,16H,3-4,9-12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine?
2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine has a molecular weight of 343.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 44526625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).