4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine

C14H25N5 — CID 114506446

IUPAC4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NC1CCN(C)CC1C
InChIInChI=1S/C14H25N5/c1-4-5-11-13(15)16-9-17-14(11)18-12-6-7-19(3)8-10(12)2/h9-10,12H,4-8H2,1-3H3,(H3,15,16,17,18)
InChIKeyMOEDZFFXLXTXRK-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.76
Rot. Bonds4

About 4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine

4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine (PubChem CID 114506446) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine
PubChem CID114506446
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NC1CCN(C)CC1C
InChIInChI=1S/C14H25N5/c1-4-5-11-13(15)16-9-17-14(11)18-12-6-7-19(3)8-10(12)2/h9-10,12H,4-8H2,1-3H3,(H3,15,16,17,18)
InChIKeyMOEDZFFXLXTXRK-UHFFFAOYSA-N
XLogP1.76
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine
CID 114506491
4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine
CID 80778398
N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine
CID 114504858
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 114506749
6-hydrazinyl-N-(1-methylpiperidin-4-yl)-5-propylpyrimidin-4-amine
CID 80895120
6-hydrazinyl-N-(2-methylcyclohexyl)-5-propylpyrimidin-4-amine
CID 80944639
4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 80840241
4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80774074
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
4-N-(1,3-dimethylpiperidin-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 114506457
4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80818981
4-N-(1,3-dimethylpiperidin-4-yl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 114506472

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine (CID 114506446) is 4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1NC1CCN(C)CC1C.
What is the InChIKey of 4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is MOEDZFFXLXTXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-5-11-13(15)16-9-17-14(11)18-12-6-7-19(3)8-10(12)2/h9-10,12H,4-8H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine?
4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 114506446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).