2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol

C18H27N3O — CID 134702570

IUPAC2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol
SMILESCCc1cnc(C)nc1NCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27N3O/c1-3-14-9-19-11(2)21-17(14)20-10-18(22)15-5-12-4-13(7-15)8-16(18)6-12/h9,12-13,15-16,22H,3-8,10H2,1-2H3,(H,19,20,21)
InChIKeyRECCUQKMQMCYNI-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.95
Rot. Bonds4

About 2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol

2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol (PubChem CID 134702570) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol.

Molecular Properties

Compound Name2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol
PubChem CID134702570
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol
SMILESCCc1cnc(C)nc1NCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27N3O/c1-3-14-9-19-11(2)21-17(14)20-10-18(22)15-5-12-4-13(7-15)8-16(18)6-12/h9,12-13,15-16,22H,3-8,10H2,1-2H3,(H,19,20,21)
InChIKeyRECCUQKMQMCYNI-UHFFFAOYSA-N
XLogP2.95
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-1-methylpiperidin-4-ol
CID 135098110
3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-3-ol;dihydrochloride
CID 154916752
5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
CID 50971412
[1-[[(2-methyl-5-propylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
CID 131905026
5-(aminomethyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 126972399
N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine
CID 135105473
2-(propylaminomethyl)adamantan-2-ol
CID 62773922
(4S)-1-cyclopentyl-4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 95127164
methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate
CID 114214814
2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol
CID 10777551
5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine
CID 50955751
N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide
CID 134704159

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol?
The IUPAC name of 2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol (CID 134702570) is 2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol.
What is the SMILES notation for 2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol?
The canonical SMILES for 2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol is CCc1cnc(C)nc1NCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol?
The InChIKey is RECCUQKMQMCYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-14-9-19-11(2)21-17(14)20-10-18(22)15-5-12-4-13(7-15)8-16(18)6-12/h9,12-13,15-16,22H,3-8,10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol?
2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol has a molecular weight of 301.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]adamantan-2-ol is sourced from PubChem (CID 134702570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).