N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine

C16H23N3 — CID 75402194

IUPACN-(1-adamantylmethyl)-N-methylpyrimidin-2-amine
SMILESCN(CC12CC3CC(CC(C3)C1)C2)c1ncccn1
InChIInChI=1S/C16H23N3/c1-19(15-17-3-2-4-18-15)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h2-4,12-14H,5-11H2,1H3
InChIKeyQTNFCSNUBVCHQN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.13
Rot. Bonds3

About N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine

N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine (PubChem CID 75402194) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methylpyrimidin-2-amine
PubChem CID75402194
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(1-adamantylmethyl)-N-methylpyrimidin-2-amine
SMILESCN(CC12CC3CC(CC(C3)C1)C2)c1ncccn1
InChIInChI=1S/C16H23N3/c1-19(15-17-3-2-4-18-15)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h2-4,12-14H,5-11H2,1H3
InChIKeyQTNFCSNUBVCHQN-UHFFFAOYSA-N
XLogP3.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine?
The IUPAC name of N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine (CID 75402194) is N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine is CN(CC12CC3CC(CC(C3)C1)C2)c1ncccn1.
What is the InChIKey of N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine?
The InChIKey is QTNFCSNUBVCHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-19(15-17-3-2-4-18-15)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h2-4,12-14H,5-11H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine?
N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 75402194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).