N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

C19H27N5O — CID 4920968

IUPACN-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H27N5O/c25-18(22-19-11-14-8-15(12-19)10-16(9-14)13-19)24-6-4-23(5-7-24)17-20-2-1-3-21-17/h1-3,14-16H,4-13H2,(H,22,25)
InChIKeySXFOUHKWULXPSL-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.28
Rot. Bonds2

About N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 4920968) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID4920968
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H27N5O/c25-18(22-19-11-14-8-15(12-19)10-16(9-14)13-19)24-6-4-23(5-7-24)17-20-2-1-3-21-17/h1-3,14-16H,4-13H2,(H,22,25)
InChIKeySXFOUHKWULXPSL-UHFFFAOYSA-N
XLogP2.28
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Adatanserin
CID 130918
Adatanserin Hydrochloride
CID 183784
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide;dihydrochloride
CID 9803386
N-1-adamantyl-N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 10548087
N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide
CID 10501003
N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide
CID 10596147
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide;dihydrochloride
CID 45262368
1-(1-Adamantyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea;dihydrochloride
CID 45262441
N-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide;dihydrochloride
CID 45265369
2-[(5S,7R)-3-methyl-1-adamantyl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide;dihydrochloride
CID 45265570
N-(1-adamantyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide;trihydrochloride
CID 45265621
1-(1-Adamantyl)-3-pyrimidin-4-yl-urea
CID 71602843

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 4920968) is N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is SXFOUHKWULXPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c25-18(22-19-11-14-8-15(12-19)10-16(9-14)13-19)24-6-4-23(5-7-24)17-20-2-1-3-21-17/h1-3,14-16H,4-13H2,(H,22,25).
What are the key properties of N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 4920968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).