4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine

C16H29N5 — CID 50971805

IUPAC4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCCNc1ccnc(NC2CC(C)(C)N(C)C(C)(C)C2)n1
InChIInChI=1S/C16H29N5/c1-7-17-13-8-9-18-14(20-13)19-12-10-15(2,3)21(6)16(4,5)11-12/h8-9,12H,7,10-11H2,1-6H3,(H2,17,18,19,20)
InChIKeyBLLKZLHERKSEED-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.97
Rot. Bonds4

About 4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine

4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 50971805) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID50971805
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCCNc1ccnc(NC2CC(C)(C)N(C)C(C)(C)C2)n1
InChIInChI=1S/C16H29N5/c1-7-17-13-8-9-18-14(20-13)19-12-10-15(2,3)21(6)16(4,5)11-12/h8-9,12H,7,10-11H2,1-6H3,(H2,17,18,19,20)
InChIKeyBLLKZLHERKSEED-UHFFFAOYSA-N
XLogP2.97
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 50971805) is 4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine is CCNc1ccnc(NC2CC(C)(C)N(C)C(C)(C)C2)n1.
What is the InChIKey of 4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is BLLKZLHERKSEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-7-17-13-8-9-18-14(20-13)19-12-10-15(2,3)21(6)16(4,5)11-12/h8-9,12H,7,10-11H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine?
4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 50971805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).