4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C19H29N5 — CID 44568923

IUPAC4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)CC1
InChIInChI=1S/C19H29N5/c1-23-2-4-24(5-3-23)17-9-16(21-18(20)22-17)19-10-13-6-14(11-19)8-15(7-13)12-19/h9,13-15H,2-8,10-12H2,1H3,(H2,20,21,22)
InChIKeyYJPZFJVOZGZAIA-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.28
Rot. Bonds2

About 4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 44568923) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID44568923
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)CC1
InChIInChI=1S/C19H29N5/c1-23-2-4-24(5-3-23)17-9-16(21-18(20)22-17)19-10-13-6-14(11-19)8-15(7-13)12-19/h9,13-15H,2-8,10-12H2,1H3,(H2,20,21,22)
InChIKeyYJPZFJVOZGZAIA-UHFFFAOYSA-N
XLogP2.28
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 44568923) is 4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)CC1.
What is the InChIKey of 4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is YJPZFJVOZGZAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-23-2-4-24(5-3-23)17-9-16(21-18(20)22-17)19-10-13-6-14(11-19)8-15(7-13)12-19/h9,13-15H,2-8,10-12H2,1H3,(H2,20,21,22).
What are the key properties of 4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 327.48 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 44568923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).