1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C24H35N5O2 — CID 122339971

IUPAC1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H35N5O2/c1-17-10-21(26-23(25-17)29-6-8-31-9-7-29)27-2-4-28(5-3-27)22(30)24-14-18-11-19(15-24)13-20(12-18)16-24/h10,18-20H,2-9,11-16H2,1H3
InChIKeyIMTMPTZNLQFQDL-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.49
Rot. Bonds3

About 1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122339971) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122339971
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H35N5O2/c1-17-10-21(26-23(25-17)29-6-8-31-9-7-29)27-2-4-28(5-3-27)22(30)24-14-18-11-19(15-24)13-20(12-18)16-24/h10,18-20H,2-9,11-16H2,1H3
InChIKeyIMTMPTZNLQFQDL-UHFFFAOYSA-N
XLogP2.49
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122339971) is 1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is IMTMPTZNLQFQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-17-10-21(26-23(25-17)29-6-8-31-9-7-29)27-2-4-28(5-3-27)22(30)24-14-18-11-19(15-24)13-20(12-18)16-24/h10,18-20H,2-9,11-16H2,1H3.
What are the key properties of 1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 425.58 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122339971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).