N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine

C19H25N5O — CID 141441950

IUPACN-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
SMILESc1cnc(Nc2ccc(N3CCN(C4CCOCC4)CC3)cc2)nc1
InChIInChI=1S/C19H25N5O/c1-8-20-19(21-9-1)22-16-2-4-17(5-3-16)23-10-12-24(13-11-23)18-6-14-25-15-7-18/h1-5,8-9,18H,6-7,10-15H2,(H,20,21,22)
InChIKeyJNBFRFXNRUWFBF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.52
Rot. Bonds4

About N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine

N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine (PubChem CID 141441950) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
PubChem CID141441950
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
SMILESc1cnc(Nc2ccc(N3CCN(C4CCOCC4)CC3)cc2)nc1
InChIInChI=1S/C19H25N5O/c1-8-20-19(21-9-1)22-16-2-4-17(5-3-16)23-10-12-24(13-11-23)18-6-14-25-15-7-18/h1-5,8-9,18H,6-7,10-15H2,(H,20,21,22)
InChIKeyJNBFRFXNRUWFBF-UHFFFAOYSA-N
XLogP2.52
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol
CID 123614324
N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 82513989
N-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]pyrimidin-2-amine
CID 141392333
4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
CID 142395470
1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 172899349
4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 58432936
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
4-[4-(oxan-4-yl)piperazin-1-yl]quinoline
CID 172900616
3-[4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)-6-pyridin-2-ylpyrazine-2-carboxamide
CID 168769034
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 110621034
2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
CID 75496874
2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine
CID 123694030

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine (CID 141441950) is N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine is c1cnc(Nc2ccc(N3CCN(C4CCOCC4)CC3)cc2)nc1.
What is the InChIKey of N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine?
The InChIKey is JNBFRFXNRUWFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-8-20-19(21-9-1)22-16-2-4-17(5-3-16)23-10-12-24(13-11-23)18-6-14-25-15-7-18/h1-5,8-9,18H,6-7,10-15H2,(H,20,21,22).
What are the key properties of N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine?
N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine has a molecular weight of 339.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 141441950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).