N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C19H29N5 — CID 67455415

IUPACN-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccnc(NC34CC5CC(CC(C5)C3)C4)n2)CC1
InChIInChI=1S/C19H29N5/c1-23-4-6-24(7-5-23)17-2-3-20-18(21-17)22-19-11-14-8-15(12-19)10-16(9-14)13-19/h2-3,14-16H,4-13H2,1H3,(H,20,21,22)
InChIKeyJPQYNJBQWDLLSB-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.61
Rot. Bonds3

About N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 67455415) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID67455415
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC NameN-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccnc(NC34CC5CC(CC(C5)C3)C4)n2)CC1
InChIInChI=1S/C19H29N5/c1-23-4-6-24(7-5-23)17-2-3-20-18(21-17)22-19-11-14-8-15(12-19)10-16(9-14)13-19/h2-3,14-16H,4-13H2,1H3,(H,20,21,22)
InChIKeyJPQYNJBQWDLLSB-UHFFFAOYSA-N
XLogP2.61
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134707002
N-(4-dimethylphosphorylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 142786206
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888061
N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112887993
6-(4-methylpiperazin-1-yl)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 58358484
2-tert-butyl-4-(4-methylpiperazin-1-yl)pyrimidine
CID 140914815
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335
N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 155812807
4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 59007235
4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888637
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888014

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 67455415) is N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2ccnc(NC34CC5CC(CC(C5)C3)C4)n2)CC1.
What is the InChIKey of N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is JPQYNJBQWDLLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-23-4-6-24(7-5-23)17-2-3-20-18(21-17)22-19-11-14-8-15(12-19)10-16(9-14)13-19/h2-3,14-16H,4-13H2,1H3,(H,20,21,22).
What are the key properties of N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 327.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 67455415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).