N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

C18H26N6O — CID 122156220

IUPACN-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCc1noc(C)c1CN1CCN(c2cc(NCC3CC3)ncn2)CC1
InChIInChI=1S/C18H26N6O/c1-13-16(14(2)25-22-13)11-23-5-7-24(8-6-23)18-9-17(20-12-21-18)19-10-15-3-4-15/h9,12,15H,3-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyJMPFDMDMKFSDKF-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.23
Rot. Bonds6

About N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 122156220) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID122156220
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCc1noc(C)c1CN1CCN(c2cc(NCC3CC3)ncn2)CC1
InChIInChI=1S/C18H26N6O/c1-13-16(14(2)25-22-13)11-23-5-7-24(8-6-23)18-9-17(20-12-21-18)19-10-15-3-4-15/h9,12,15H,3-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyJMPFDMDMKFSDKF-UHFFFAOYSA-N
XLogP2.23
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]pyrimidin-4-amine
CID 84590310
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63849125
(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 97245444
N-(cyclopropylmethyl)-6-[4-(oxan-4-yl)-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 84590308
3,5-dimethyl-4-[[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133409218
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544318
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine
CID 126813706
N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
CID 133453180
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
6-[(2R)-2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 95764401
3,5-dimethyl-4-[[4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 163356745

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine (CID 122156220) is N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine is Cc1noc(C)c1CN1CCN(c2cc(NCC3CC3)ncn2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is JMPFDMDMKFSDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-16(14(2)25-22-13)11-23-5-7-24(8-6-23)18-9-17(20-12-21-18)19-10-15-3-4-15/h9,12,15H,3-8,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 342.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 122156220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).