4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine

C22H28N6O — CID 92606418

IUPAC4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine
SMILESCc1occc1-c1nc(NCCCN2CCN(C)CC2)ncc1-c1ccncc1
InChIInChI=1S/C22H28N6O/c1-17-19(6-15-29-17)21-20(18-4-8-23-9-5-18)16-25-22(26-21)24-7-3-10-28-13-11-27(2)12-14-28/h4-6,8-9,15-16H,3,7,10-14H2,1-2H3,(H,24,25,26)
InChIKeyBUUOIPIVOULQKD-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.16
Rot. Bonds7

About 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine

4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine (PubChem CID 92606418) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine
PubChem CID92606418
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine
SMILESCc1occc1-c1nc(NCCCN2CCN(C)CC2)ncc1-c1ccncc1
InChIInChI=1S/C22H28N6O/c1-17-19(6-15-29-17)21-20(18-4-8-23-9-5-18)16-25-22(26-21)24-7-3-10-28-13-11-27(2)12-14-28/h4-6,8-9,15-16H,3,7,10-14H2,1-2H3,(H,24,25,26)
InChIKeyBUUOIPIVOULQKD-UHFFFAOYSA-N
XLogP3.16
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine
CID 92606419
4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine
CID 155982497
N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92571387
4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 92571097
5-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 92571988
N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92577605
6-(3,5-dimethoxyphenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
CID 11166502
4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 95803559
N-[(3-methylfuran-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115651689
5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 70022479
N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitropyridin-4-amine
CID 134098351
4-(6-amino-1-benzothiophen-2-yl)-5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 68855997

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine (CID 92606418) is 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine is Cc1occc1-c1nc(NCCCN2CCN(C)CC2)ncc1-c1ccncc1.
What is the InChIKey of 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is BUUOIPIVOULQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-17-19(6-15-29-17)21-20(18-4-8-23-9-5-18)16-25-22(26-21)24-7-3-10-28-13-11-27(2)12-14-28/h4-6,8-9,15-16H,3,7,10-14H2,1-2H3,(H,24,25,26).
What are the key properties of 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine?
4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 392.51 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 92606418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).