N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide

C24H33N7O2 — CID 67463109

IUPACN-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCc1[nH]ncc1N1CCN(c2nccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)[C@H](C)C1
InChIInChI=1S/C24H33N7O2/c1-14-13-30(20-12-26-29-15(20)2)5-6-31(14)23-25-4-3-19(27-23)22(32)28-21-17-7-16-8-18(21)11-24(33,9-16)10-17/h3-4,12,14,16-18,21,33H,5-11,13H2,1-2H3,(H,26,29)(H,28,32)/t14-,16?,17?,18?,21?,24?/m1/s1
InChIKeyYWXSLWMKVJNFRC-UTFRQLFUSA-N
MW451.58 g/mol
LogP1.89
Rot. Bonds4

About N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide

N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 67463109) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID67463109
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC NameN-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCc1[nH]ncc1N1CCN(c2nccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)[C@H](C)C1
InChIInChI=1S/C24H33N7O2/c1-14-13-30(20-12-26-29-15(20)2)5-6-31(14)23-25-4-3-19(27-23)22(32)28-21-17-7-16-8-18(21)11-24(33,9-16)10-17/h3-4,12,14,16-18,21,33H,5-11,13H2,1-2H3,(H,26,29)(H,28,32)/t14-,16?,17?,18?,21?,24?/m1/s1
InChIKeyYWXSLWMKVJNFRC-UTFRQLFUSA-N
XLogP1.89
TPSA110.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 67463109) is N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide is Cc1[nH]ncc1N1CCN(c2nccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)[C@H](C)C1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is YWXSLWMKVJNFRC-UTFRQLFUSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-14-13-30(20-12-26-29-15(20)2)5-6-31(14)23-25-4-3-19(27-23)22(32)28-21-17-7-16-8-18(21)11-24(33,9-16)10-17/h3-4,12,14,16-18,21,33H,5-11,13H2,1-2H3,(H,26,29)(H,28,32)/t14-,16?,17?,18?,21?,24?/m1/s1.
What are the key properties of N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide?
N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 451.58 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 67463109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).