N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine

C16H23N3 — CID 123361114

IUPACN-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine
SMILESCc1ncc(CNC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C16H23N3/c1-11-17-8-15(9-18-11)10-19-16-5-12-2-13(6-16)4-14(3-12)7-16/h8-9,12-14,19H,2-7,10H2,1H3
InChIKeyKMMMVDODUUJFGV-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.84
Rot. Bonds3

About N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine

N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine (PubChem CID 123361114) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine
PubChem CID123361114
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine
SMILESCc1ncc(CNC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C16H23N3/c1-11-17-8-15(9-18-11)10-19-16-5-12-2-13(6-16)4-14(3-12)7-16/h8-9,12-14,19H,2-7,10H2,1H3
InChIKeyKMMMVDODUUJFGV-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 145992111
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CID 89615594
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CID 4901319
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CID 131943367
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CID 18344198
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CID 87894499
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CID 130344297
CID 130344297

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine (CID 123361114) is N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine is Cc1ncc(CNC23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine?
The InChIKey is KMMMVDODUUJFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-17-8-15(9-18-11)10-19-16-5-12-2-13(6-16)4-14(3-12)7-16/h8-9,12-14,19H,2-7,10H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine?
N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-5-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 123361114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).