4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine

C10H19N5 — CID 152780815

IUPAC4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CC2CCNCC2)C=CN1
InChIInChI=1S/C10H19N5/c11-9-14-6-3-10(12,15-9)7-8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7,12H2,(H3,11,14,15)
InChIKeyQIHNPUJKBDJTAP-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.54
Rot. Bonds2

About 4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine

4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine (PubChem CID 152780815) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine
PubChem CID152780815
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CC2CCNCC2)C=CN1
InChIInChI=1S/C10H19N5/c11-9-14-6-3-10(12,15-9)7-8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7,12H2,(H3,11,14,15)
InChIKeyQIHNPUJKBDJTAP-UHFFFAOYSA-N
XLogP-0.54
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine (CID 152780815) is 4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(CC2CCNCC2)C=CN1.
What is the InChIKey of 4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is QIHNPUJKBDJTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c11-9-14-6-3-10(12,15-9)7-8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7,12H2,(H3,11,14,15).
What are the key properties of 4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine?
4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 209.30 g/mol, XLogP of -0.54, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 152780815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).