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

C14H27N5 — CID 140551189

IUPAC4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
SMILESCN1C(C)(C)CC(C2(N)C=CNC(N)=N2)CC1(C)C
InChIInChI=1S/C14H27N5/c1-12(2)8-10(9-13(3,4)19(12)5)14(16)6-7-17-11(15)18-14/h6-7,10H,8-9,16H2,1-5H3,(H3,15,17,18)
InChIKeyCNGDRTRAYSEMDG-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.97
Rot. Bonds1

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

4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine (PubChem CID 140551189) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
PubChem CID140551189
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
SMILESCN1C(C)(C)CC(C2(N)C=CNC(N)=N2)CC1(C)C
InChIInChI=1S/C14H27N5/c1-12(2)8-10(9-13(3,4)19(12)5)14(16)6-7-17-11(15)18-14/h6-7,10H,8-9,16H2,1-5H3,(H3,15,17,18)
InChIKeyCNGDRTRAYSEMDG-UHFFFAOYSA-N
XLogP0.97
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine
CID 142779629
4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine
CID 154189850
4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1H-pyrimidine-2,4-diamine
CID 140677600
4-(2-methylbutyl)-1H-pyrimidine-2,4-diamine
CID 141176041
4-piperidin-3-yl-1H-pyrimidine-4,6-diamine
CID 144208185
4-piperidin-3-yl-1H-pyrimidine-2,4-diamine
CID 152166767
4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
CID 152569151
4-pentan-2-yl-1H-pyrimidine-2,4-diamine
CID 152683649
4-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
CID 152769565
4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine
CID 152780503
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrimidine-2,4-diamine
CID 152780504
4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine
CID 152780815

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine (CID 140551189) is 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine is CN1C(C)(C)CC(C2(N)C=CNC(N)=N2)CC1(C)C.
What is the InChIKey of 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine?
The InChIKey is CNGDRTRAYSEMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-12(2)8-10(9-13(3,4)19(12)5)14(16)6-7-17-11(15)18-14/h6-7,10H,8-9,16H2,1-5H3,(H3,15,17,18).
What are the key properties of 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine?
4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine has a molecular weight of 265.40 g/mol, XLogP of 0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 140551189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).