N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine

C18H21N5O2 — CID 141314522

IUPACN-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3occc3n2)ccc1N1CCN(C)CC1
InChIInChI=1S/C18H21N5O2/c1-22-6-8-23(9-7-22)15-4-3-13(11-16(15)24-2)20-18-19-12-17-14(21-18)5-10-25-17/h3-5,10-12H,6-9H2,1-2H3,(H,19,20,21)
InChIKeyNLNNOIKOVSBVIE-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.73
Rot. Bonds4

About N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine

N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine (PubChem CID 141314522) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine
PubChem CID141314522
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3occc3n2)ccc1N1CCN(C)CC1
InChIInChI=1S/C18H21N5O2/c1-22-6-8-23(9-7-22)15-4-3-13(11-16(15)24-2)20-18-19-12-17-14(21-18)5-10-25-17/h3-5,10-12H,6-9H2,1-2H3,(H,19,20,21)
InChIKeyNLNNOIKOVSBVIE-UHFFFAOYSA-N
XLogP2.73
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dimethylphenyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 69070563
4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
CID 71540971
2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-5-methyl-4-N-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine
CID 122425999
3-[5-chloro-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxybenzonitrile
CID 71713178
5-chloro-2-[3-methoxy-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]anilino]pyrimidine-4-carboxylic acid
CID 169085574
1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 139408176
4-[2-(3,3-difluoropyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-5-(1,3-oxazol-5-yl)pyrimidin-2-amine
CID 169089977
2-N-[3-[2-(dimethylamino)ethoxy]-4-morpholin-4-ylphenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine;2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 176696808
2-[2-[[5-chloro-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-N-methyl-2-oxoacetamide
CID 87055100
2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-8-[3-(methylamino)phenyl]-6-(trifluoromethyl)pteridin-7-one
CID 134444914
4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 142395487
9-(2,6-dimethylphenyl)-4-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-1,3,5,9,11-pentazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,10,12,14,16-heptaen-8-one
CID 11421633

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine (CID 141314522) is N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine is COc1cc(Nc2ncc3occc3n2)ccc1N1CCN(C)CC1.
What is the InChIKey of N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine?
The InChIKey is NLNNOIKOVSBVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-22-6-8-23(9-7-22)15-4-3-13(11-16(15)24-2)20-18-19-12-17-14(21-18)5-10-25-17/h3-5,10-12H,6-9H2,1-2H3,(H,19,20,21).
What are the key properties of N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine?
N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine has a molecular weight of 339.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 141314522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).