4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine

C11H20N6 — CID 80812495

IUPAC4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCN1CCC(CNc2cc(N)nc(N)n2)CC1
InChIInChI=1S/C11H20N6/c1-17-4-2-8(3-5-17)7-14-10-6-9(12)15-11(13)16-10/h6,8H,2-5,7H2,1H3,(H5,12,13,14,15,16)
InChIKeySXXKZDVFTPNLAQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.39
Rot. Bonds3

About 4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine

4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 80812495) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
PubChem CID80812495
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCN1CCC(CNc2cc(N)nc(N)n2)CC1
InChIInChI=1S/C11H20N6/c1-17-4-2-8(3-5-17)7-14-10-6-9(12)15-11(13)16-10/h6,8H,2-5,7H2,1H3,(H5,12,13,14,15,16)
InChIKeySXXKZDVFTPNLAQ-UHFFFAOYSA-N
XLogP0.39
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine (CID 80812495) is 4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine is CN1CCC(CNc2cc(N)nc(N)n2)CC1.
What is the InChIKey of 4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is SXXKZDVFTPNLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-17-4-2-8(3-5-17)7-14-10-6-9(12)15-11(13)16-10/h6,8H,2-5,7H2,1H3,(H5,12,13,14,15,16).
What are the key properties of 4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine?
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 236.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80812495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).