6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine

C11H20N6 — CID 80792622

IUPAC6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCN(C)C1CCN(c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C11H20N6/c1-16(2)8-3-5-17(6-4-8)10-7-9(12)14-11(13)15-10/h7-8H,3-6H2,1-2H3,(H4,12,13,14,15)
InChIKeyAMQSMJVYVMYULI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.17
Rot. Bonds2

About 6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine

6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 80792622) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine
PubChem CID80792622
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCN(C)C1CCN(c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C11H20N6/c1-16(2)8-3-5-17(6-4-8)10-7-9(12)14-11(13)15-10/h7-8H,3-6H2,1-2H3,(H4,12,13,14,15)
InChIKeyAMQSMJVYVMYULI-UHFFFAOYSA-N
XLogP0.17
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine (CID 80792622) is 6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine is CN(C)C1CCN(c2cc(N)nc(N)n2)CC1.
What is the InChIKey of 6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is AMQSMJVYVMYULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-16(2)8-3-5-17(6-4-8)10-7-9(12)14-11(13)15-10/h7-8H,3-6H2,1-2H3,(H4,12,13,14,15).
What are the key properties of 6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine?
6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80792622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).