4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine

C14H23N5 — CID 154815495

IUPAC4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCCc1c(NC2CC2)nc(N)nc1N1CCCCC1
InChIInChI=1S/C14H23N5/c1-2-11-12(16-10-6-7-10)17-14(15)18-13(11)19-8-4-3-5-9-19/h10H,2-9H2,1H3,(H3,15,16,17,18)
InChIKeyNGFMYCHBESXCPP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.19
Rot. Bonds4

About 4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine

4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine (PubChem CID 154815495) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine
PubChem CID154815495
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCCc1c(NC2CC2)nc(N)nc1N1CCCCC1
InChIInChI=1S/C14H23N5/c1-2-11-12(16-10-6-7-10)17-14(15)18-13(11)19-8-4-3-5-9-19/h10H,2-9H2,1H3,(H3,15,16,17,18)
InChIKeyNGFMYCHBESXCPP-UHFFFAOYSA-N
XLogP2.19
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine (CID 154815495) is 4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine is CCc1c(NC2CC2)nc(N)nc1N1CCCCC1.
What is the InChIKey of 4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is NGFMYCHBESXCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-11-12(16-10-6-7-10)17-14(15)18-13(11)19-8-4-3-5-9-19/h10H,2-9H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine?
4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 261.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-5-ethyl-6-piperidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 154815495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).