4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine

C15H27N5 — CID 80814271

IUPAC4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCC(C)N1CCCCC1
InChIInChI=1S/C15H27N5/c1-11(2)13-14(16)18-10-19-15(13)17-9-12(3)20-7-5-4-6-8-20/h10-12H,4-9H2,1-3H3,(H3,16,17,18,19)
InChIKeyMSMXSGYDXZBJRA-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.47
Rot. Bonds5

About 4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80814271) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80814271
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCC(C)N1CCCCC1
InChIInChI=1S/C15H27N5/c1-11(2)13-14(16)18-10-19-15(13)17-9-12(3)20-7-5-4-6-8-20/h10-12H,4-9H2,1-3H3,(H3,16,17,18,19)
InChIKeyMSMXSGYDXZBJRA-UHFFFAOYSA-N
XLogP2.47
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80814271) is 4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1NCC(C)N1CCCCC1.
What is the InChIKey of 4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is MSMXSGYDXZBJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11(2)13-14(16)18-10-19-15(13)17-9-12(3)20-7-5-4-6-8-20/h10-12H,4-9H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80814271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).