N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine

C27H35N5O2 — CID 167112998

IUPACN,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine
SMILESCc1cccc2cccc(C3Cc4nc(OC(C)CN(C)C)nc(N5CCNCC5)c4CO3)c12
InChIInChI=1S/C27H35N5O2/c1-18-7-5-8-20-9-6-10-21(25(18)20)24-15-23-22(17-33-24)26(32-13-11-28-12-14-32)30-27(29-23)34-19(2)16-31(3)4/h5-10,19,24,28H,11-17H2,1-4H3
InChIKeyPAROPQNUKADLLS-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.49
Rot. Bonds6

About N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine

N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine (PubChem CID 167112998) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine
PubChem CID167112998
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine
SMILESCc1cccc2cccc(C3Cc4nc(OC(C)CN(C)C)nc(N5CCNCC5)c4CO3)c12
InChIInChI=1S/C27H35N5O2/c1-18-7-5-8-20-9-6-10-21(25(18)20)24-15-23-22(17-33-24)26(32-13-11-28-12-14-32)30-27(29-23)34-19(2)16-31(3)4/h5-10,19,24,28H,11-17H2,1-4H3
InChIKeyPAROPQNUKADLLS-UHFFFAOYSA-N
XLogP3.49
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine (CID 167112998) is N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine is Cc1cccc2cccc(C3Cc4nc(OC(C)CN(C)C)nc(N5CCNCC5)c4CO3)c12.
What is the InChIKey of N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine?
The InChIKey is PAROPQNUKADLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-18-7-5-8-20-9-6-10-21(25(18)20)24-15-23-22(17-33-24)26(32-13-11-28-12-14-32)30-27(29-23)34-19(2)16-31(3)4/h5-10,19,24,28H,11-17H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine?
N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine has a molecular weight of 461.61 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]oxy]propan-1-amine is sourced from PubChem (CID 167112998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).